Change search
Refine search result
123456 1 - 50 of 290
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Rows per page
  • 5
  • 10
  • 20
  • 50
  • 100
  • 250
Sort
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
  • Disputation date (earliest first)
  • Disputation date (latest first)
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
  • Disputation date (earliest first)
  • Disputation date (latest first)
Select
The maximal number of hits you can export is 250. When you want to export more records please use the Create feeds function.
  • 1. Abdullah, Omed Gh.
    et al.
    Tahir, Dana A.
    Kadir, K.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Kurdistan Institution for Strategic Studies and Scientific Research, Iraq.
    Optical and structural investigation of synthesized PVA/PbS nanocomposites2015In: Journal of materials science. Materials in electronics, ISSN 0957-4522, E-ISSN 1573-482X, Vol. 26, no 9, p. 6939-6944Article in journal (Refereed)
    Abstract [en]

    Polymer nanocomposite based on polyvinyl alcohol (PVA) and lead sulfide (PbS) in the average radius of (1.88-2.23) nm, have been synthesized using the chemical reduction rote and solution casting technique for different concentrations of PbS. The characterization of the polymer nanocomposite films were carried out using UV-visible spectroscopy, SEM, and XRD. The effect of various concentration of PbS NP on the optical properties of the composite has been studied to understand the optimum conditions for the synthesis process. The nanocomposite film shows high UV and visible light absorptions in the wavelength range of (200-500) nm, which correspond to the characteristics of the PbS NPs. The significant decreasing trend of the direct allowed band gap of the nanocomposite was observed upon increasing the Pb source concentration, from (6.27 eV) for pure PVA to (2.34 eV) for 0.04 M PbS concentration, which is much higher than the energy gap of bulk PbS value (0.41 eV). The calculated values of the static refractive index of Cauchy dispersion model were in the range of (1.09-1.20). X-ray diffraction analysis confirmed the cubic nanocrystalline PbS phase formation.

  • 2.
    Abebe, Mihret
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Hedin, Niklas
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Bacsik, Zoltan
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Spherical and Porous Particles of Calcium Carbonate Synthesized with Food Friendly Polymer Additives2015In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 15, no 8, p. 3609-3616Article in journal (Refereed)
    Abstract [en]

    Porous calcium carbonate particles were synthesized by adding solutions of Ca2+ to solutions of CO32- containing polymeric additives. Under optimized conditions well-defined aggregates of the anhydrous polymorph vaterite formed. A typical sample of these micrometer-sized aggregates had: a pore volume of 0.1 cm(3)/g, a pore width of similar to 10 nm, and a specific surface area of similar to 25-30 m(2)/ g. Only one mixing Order (calcium to carbonate) allowed the formation of vaterite, which was ascribed to the buffering capacity and relatively high pH of the CO32- solution. Rapid addition of the calcium chloride solution and rapid stirring promoted the formation of vaterite, due to the high supersaturation levels achieved. With xanthan gum, porous and micrometer-sized vaterite aggregates could be synthesized over a wide range of synthetic conditions. For the Other food grade polymers, hydroxypropyl methylcellulose (HPMC), methylcellulose (MC), and sodium carboxyl methylcellulose, several intensive and extensive synthetic parameters had to be optimized to obtain pure vaterite and porous aggregates. HPMC and MC allowed well-defined spherical micrometer-sited particles to form. We expect that these spherical and porous particles of vaterite could be relevant to model studies as well as a controlled delivery of particularly large molecules.

  • 3. Abram, Emese
    et al.
    Gajdatsy, Gabor
    Hermann, Peter
    Ujhelyi, Ferenc
    Borbely, Judit
    Shen, James Zhijian
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    The colour of monolithic zirconia restorations determined by spectrophotometric examination2019In: Advances in Applied Ceramics: Structural, Functional and Bioceramics, ISSN 1743-6753, E-ISSN 1743-6761, Vol. 118, no 1-2, p. 3-8Article in journal (Refereed)
    Abstract [en]

    Objective: The aim of this in vitro study is to examine the optical effects of monolithic zirconia of different translucency and thickness, combined with substrates of different colours. Materials and methods: Zirconia specimens of two colours (A2P1, WHITE) were used for the study, three try-in pastes (Variolink Esthetic); substrates were prepared from nine types of materials (six VITA SIMULATE, three metals). Measurements were carried out at the Faculty of Atomic Physics of the Technical University of Budapest with the state-of-the-art PerkinElmer (R) Lambda 1050 spectrophotometer. Results: The colouring of zirconia has a major effect on dE values resulting in different colour perceptibility and acceptability. Try-in pastes, however, have no significant effects overall. Conclusion: Applying coloured zirconia is highly eligible for preparing aesthetic crowns as their substrate-covering effect makes it possible to reproduce the desired colour. Uncoloured zirconia nonetheless is unaffected by the substrate material, especially above a certain layer thickness.

  • 4. Adolphsen, Jens Q.
    et al.
    Gil, Vanesa
    Sudireddy, Bhaskar R.
    Bergström, Lennart
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Characterisation and processing of aqueous LaNi0.6Fe0.4O3 Suspensions into Porous Electrode Layers for Alkaline Water Electrolysis2019In: Journal of the European Ceramic Society, ISSN 0955-2219, E-ISSN 1873-619X, Vol. 39, no 4, p. 1271-1278Article in journal (Refereed)
    Abstract [en]

    The colloidal properties and processing of aqueous LaNi0.6.Fe0.4O3 suspensions into electrode layers with hierarchical pore sizes has been investigated by light scattering, electron microscopy and rheology. We found that the colloidal stability of the oxide particles and the resulting microstructure of the electrode layers were similar when dispersing the particles at their intrinsic pH, or when adding polyvinylpyrrolidone. The addition of the ammonium salt of poly(methaacrylic acid) resulted in a poor colloidal stability and the concentrated suspensions became viscoelastic during processing. Addition of rice starch resulted in an increase of the porosity but the cast electrode layers cracked and delaminated.

  • 5. Afzal, Muhammad
    et al.
    Saleemi, Mohsin
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). KTH Royal Institute of Technology, Sweden.
    Wang, Baoyuan
    Xia, Chen
    Zhang, Wei
    He, Yunjuan
    Jayasuriya, Jeevan
    Zhu, Bin
    Fabrication of novel electrolyte-layer free fuel cell with semi-ionic conductor (Ba0.5Sr0.5Co0.8Fe0.2O3-delta- Sm0.2Ce0.8O1.9) and Schottky barrier2016In: Journal of Power Sources, ISSN 0378-7753, E-ISSN 1873-2755, Vol. 328, p. 136-142Article in journal (Refereed)
    Abstract [en]

    Perovskite Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) is synthesized via a chemical co-precipitation technique for a low temperature solid oxide fuel cell (LTSOFC) (300-600 degrees C) and electrolyte-layer free fuel cell (EFFC) in a comprehensive study. The EFFC with a homogeneous mixture of samarium doped ceria (SDC): BSCF (60%:40% by weight) which is rather similar to the cathode (SDC: BSCF in 50%:50% by weight) used for a three layer SOFC demonstrates peak power densities up to 655 mW/cm(2), while a three layer (anode/ electrolyte/cathode) SOFC has reached only 425 mW/cm(2) at 550 degrees C. Chemical phase, crystal structure and morphology of the as-prepared sample are characterized by X-ray diffraction and field emission scanning electron microscopy coupled with energy dispersive spectroscopy. The electrochemical performances of 3-layer SOFC and EFFC are studied by electrochemical impedance spectroscopy (EIS). As-prepared BSCF has exhibited a maximum conductivity above 300 S/cm at 550 degrees C. High performance of the EFFC device corresponds to a balanced combination between ionic and electronic (holes) conduction characteristic. The Schottky barrier prevents the EFFC from the electronic short circuiting problem which also enhances power output. The results provide a new way to produce highly effective cathode materials for LTSOFC and semiconductor designs for EFFC functions using a semiconducting-ionic material.

  • 6.
    Agthe, Michael
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Wetterskog, Erik
    Bergström, Lennart
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Following the Assembly of Iron Oxide Nanocubes by Video Microscopy and Quartz Crystal Microbalance with Dissipation Monitoring2017In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 33, no 1, p. 303-310Article in journal (Refereed)
    Abstract [en]

    We have studied the growth of ordered arrays by evaporation-induced self-assembly of iron oxide nanocubes with edge lengths of 6.8 and 10.1 nm using video microscopy (VM) and quartz crystal microbalance with dissipation monitoring (QCM-D). Ex situ electron diffraction of the ordered arrays demonstrates that the crystal axes of the nanocubes are coaligned and confirms that the ordered arrays are mesocrystals. Time-resolved video microscopy shows that growth of the highly ordered arrays at slow solvent evaporation is controlled by particle diffusion and can be described by a simple growth model. The growth of each mesocrystal depends only on the number of nanoparticles within the accessible region irrespective of the relative time of formation. The mass of the dried mesocrystals estimated from the analysis of the bandwidth-shift-to-frequency-shift ratio correlates well with the total mass of the oleate-coated nanoparticles in the deposited dispersion drop.

  • 7.
    Ali, Sk Imran
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). University of Kalyani, India.
    Lidin, Sven
    Johnsson, Mats
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Crystal Structure of the Disordered Non-Centrosymmetric Compound Fe0.43Mo2.56SbO9.52019In: Crystals, ISSN 2073-4352, Vol. 9, no 1, article id 40Article in journal (Refereed)
    Abstract [en]

    Single crystals of Fe0.43Mo2.56SbO9.5 were obtained by hydrothermal techniques at 230 degrees C. The crystal structure was determined from single crystal X-ray diffraction data. The compound crystallizes in the non-centrosymmetric space group Pc with unit cell parameters a = 4.0003(2) angstrom, b = 7.3355(3) angstrom, c = 12.6985(6) angstrom, = 90 degrees. The crystal structure comprises five crystallographically independent M atoms and one Sb3+ atom, M atoms are of two kinds of partially occupied sites Mo6+ and Fe3+. The building blocks consist of [SbO3O0.5O0.5E] octahedra (E = lone electron pair) and [(Mo/Fe)O-6] octahedra. The M = (Mo, Fe) and O atoms are arranged in a distorted hexagonal 2D-net, not the Sb atoms. The distortion of the net and consequently the symmetry reduction results mainly from the location of the Sb atoms. Disorder manifests itself as a splitting of the metal sites and as a consequent shortening of the Mo-Fe distances. Six (Mo/Fe)O-6 octahedra are connected to form a pseudohexagonal channel. The Sb3+ atom is displaced from the pseudo-six-fold axis.

  • 8. Amaya, Andrew J.
    et al.
    Pathak, Harshad
    Modak, Viraj P.
    Laksmono, Hartawan
    Loh, N. Duane
    Sellberg, Jonas A.
    Stockholm University, Faculty of Science, Department of Physics. SLAC National Accelerator Laboratory, United States; KTH Royal Institute of Technology, Sweden.
    Sierra, Raymond G.
    McQueen, Trevor A.
    Hayes, Matt J.
    Williams, Garth J.
    Messerschmidt, Marc
    Boutet, Sebastien
    Bogan, Michael J.
    Nilsson, Anders
    Stockholm University, Faculty of Science, Department of Physics. SLAC National Acceleratory Laboratory, United States.
    Stan, Claudiu A.
    Wyslouzil, Barbara E.
    How Cubic Can Ice Be?2017In: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 8, no 14, p. 3216-3222Article in journal (Refereed)
    Abstract [en]

    Using an X-ray laser, we investigated the crystal structure of ice formed by homogeneous ice nucleation in deeply supercooled water nanodrops (r approximate to 10 nm) at similar to 225 K The nanodrops were formed by condensation of vapor in a supersonic nozzle, and the ice was probed within 100 mu s of freezing using femtosecond wide-angle X-ray scattering at the Linac Coherent Light Source free-electron X-ray laser. The X-ray diffraction spectra indicate that this ice has a metastable, predominantly cubic structure; the shape of the first ice diffraction peak suggests stacking-disordered ice with a cubicity value, chi, in the range of 0.78 +/- 0.05. The cubicity value determined here is higher than those determined in experiments with micron-sized drops but comparable to those found in molecular dynamics simulations. The high cubicity is most likely caused by the extremely low freezing temperatures and by the rapid freezing, which occurs on a similar to 1 mu s time scale in single nanodroplets.

  • 9. An, Di
    et al.
    Li, Hezhen
    Xie, Zhipeng
    Zhu, Tianbin
    Luo, Xudong
    Shen, Zhijian
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Tsinghua University, China.
    Ma, Jing
    Additive manufacturing and characterization of complex Al2O3 parts based on a novel stereolithography method2017In: International Journal of Applied Ceramic Technology, ISSN 1546-542X, E-ISSN 1744-7402, Vol. 14, no 5, p. 836-844Article in journal (Refereed)
    Abstract [en]

    In this work, we prepared Al2O3 ceramic green parts with complex geometry and architecture using an additive manufacturing process based on stereolithography. The rheological and thermal behavior of Al2O3 slurry was firstly examined and used to establish the conditions for molding and debinding. As opposed to previous researches that only focused on manufacture techniques, the sintering behavior and densification process were systematically investigated. In addition, special attentions were paid to the evolution of microstructure between green bodies and sintered parts. The results showed that debound parts were equipped with uniform particle packing and narrow pore size distribution. The dimensions of the Al2O3 parts changed anisotropically with the different processing steps. The densification process was greatly accelerated by the decrease in pore size and annihilating of interconnected pores in which significant grain growth was observed above 1450 degrees C. The sintered part also had a homogeneous microstructure and no interface between adjacent layers. High densification (relative density of 99.1%) and much desirable Vickers hardness (17.9 GPa) of Al2O3 parts were achieved at the sintering temperature of 1650 degrees C.

  • 10.
    Andersson, Linnéa
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Larsson, Per Tomas
    Department of Fibre and Polymer Technology, School of Chemical Science and Engineering, Royal Institute of Technology.
    Wågberg, Lars
    Department of Fibre and Polymer Technology, School of Chemical Science and Engineering, Royal Institute of Technology.
    Bergström, Lennart
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Wallenberg Wood Science Center, Stockholm.
    Evaluating pore space in macroporous ceramics with water-based porosimetry2013In: Journal of The American Ceramic Society, ISSN 0002-7820, E-ISSN 1551-2916, Vol. 96, no 6, p. 1916-1922Article in journal (Refereed)
    Abstract [en]

    We show that water-based porosimetry (WBP), a facile, simple, and nondestructive porosimetry technique, accurately evaluates both the pore size distribution and throat size distribution of sacrificially templated macroporous alumina. The pore size distribution and throat size distribution derived from the WBP evaluation in uptake (imbibition) and release (drainage) mode, respectively, were corroborated by mercury porosimetry and X-ray micro-computed tomography (μ-CT). In contrast with mercury porosimetry, the WBP also provided information on the presence of “dead-end pores” in the macroporous alumina.

  • 11.
    Apostolopoulou-Kalkavoura, Varvara
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Gordeyeva, Korneliya
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Lavoine, Nathalie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Bergström, Lennart
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Thermal conductivity of hygroscopic foams based on cellulose nanofibrils and a nonionic polyoxamer2018In: Cellulose (London), ISSN 0969-0239, E-ISSN 1572-882X, Vol. 25, no 2, p. 1117-1126Article in journal (Refereed)
    Abstract [en]

    Nanocellulose-based lightweight foams are promising alternatives to fossil-based insulation materials for energy-efficient buildings. The properties of cellulose-based materials are strongly influenced by moisture and there is a need to assess and better understand how the thermal conductivity of nanocellulose-based foams depends on the relative humidity and temperature. Here, we report a customized setup for measuring the thermal conductivity of hydrophilic materials under controlled temperature and relative humidity conditions. The thermal conductivity of isotropic foams based on cellulose nanofibrils and a nonionic polyoxamer, and an expanded polystyrene foam was measured over a wide range of temperatures and relative humidity. We show that a previously developed model is unable to capture the strong relative humidity dependence of the thermal conductivity of the hygroscopic, low-density nanocellulose- and nonionic polyoxamer-based foam. Analysis of the moisture uptake and moisture transport was used to develop an empirical model that takes into consideration the moisture content and the wet density of the investigated foam. The new empirical model could predict the thermal conductivity of a foam with a similar composition but almost 3 times higher density. Accurate measurements of the thermal conductivity at controlled temperature and relative humidity and availability of simple models to better predict the thermal conductivity of hygroscopic, low-density foams are necessary for the development of nanocellulose-based insulation materials.

  • 12.
    Bacsik, Zoltán
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Hedin, Niklas
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Adsorption of Carbonyl Sulfide on Propylamine Tethered to Porous Silica2018In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 34, no 26, p. 7708-7713Article in journal (Refereed)
    Abstract [en]

    Carbonyl sulfide (COS) reacts slowly with amines in the aqueous solutions used to absorb CO2 from natural gas and flue gas and can also deactivate certain aqueous amines. The effects of COS on amines tethered to porous silica, however, have not been investigated before. Hence, the adsorption of COS on aminopropyl groups tethered to porous silica was studied using in situ IR spectroscopy. COS chemisorbed mainly and reversibly as propylammonium propylthiocarbamate ion pairs [R-NH(C= O)S- +H3N-R] under dry conditions. In addition, a small amount of another chemisorbed species formed slowly and irreversibly. Nevertheless, the CO2 capacities of the adsorbents were fully retained after COS was desorbed.

  • 13. Bastien, G.
    et al.
    Roslova, Maria
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Technische Universität Dresden, Germany.
    Haghighi, M. H.
    Mehlawat, K.
    Hunger, J.
    Isaeva, A.
    Doert, T.
    Vojta, M.
    Büchner, B.
    Wolter, A. U. B.
    Spin-glass state and reversed magnetic anisotropy induced by Cr doping in the Kitaev magnet alpha-RuCl32019In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 99, no 21, article id 214410Article in journal (Refereed)
    Abstract [en]

    Magnetic properties of the substitution series Ru1-xCrxCl3 were investigated to determine the evolution from the anisotropic Kitaev magnet alpha-RuCl3 with J(eff) = 1/2 magnetic Ru(3+ )ions to the isotropic Heisenberg magnet CrCl3 with S = 3/2 magnetic Cr3+ ions. Magnetization measurements on single crystals revealed a reversal of the magnetic anisotropy under doping, which we argue to arise from the competition between anisotropic Kitaev and off-diagonal interactions on the Ru-Ru links and approximately isotropic Cr-Ru and isotropic Cr-Cr interactions. In addition, combined magnetization, ac susceptibility, and specific-heat measurements clearly show the destabilization of the long-range magnetic order of alpha-RuCl3 in favor of a spin-glass state of Ru1-xCrxCl3 for a low doping of x similar or equal to 0.1. The corresponding freezing temperature as a function of Cr content shows a broad maximum around x similar or equal to 0.45.

  • 14. Battiston, S.
    et al.
    Boldrini, S.
    Saleemi, Mohsin
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). KTH Royal Institute of Technology, Sweden.
    Famengo, A.
    Fiameni, S.
    Toprak, M. S.
    Fabrizio, M.
    Influence of Al and Mg Addition on Thermoelectric Properties of Higher Manganese Silicides Obtained by Reactive Sintering2017In: Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, E-ISSN 1533-4899, Vol. 17, no 3, p. 1668-1673Article in journal (Refereed)
    Abstract [en]

    Higher manganese silicides (HMS), represented by MnSix (x = 1.71-1.75), are promising p-type candidates for thermoelectric (TE) energy harvesting systems at intermediate temperature range. The materials are very attractive as they may replace lead based compounds due to their nontoxicity, low cost of starting materials, and high thermal and chemical stability. Dense pellets were obtained through fast reactive sintering by spark plasma sintering (SPS). The addition -or nanoinclusion, of Al and Mg permitted the figure of merit enhancement of the material obtained with this technique, reaching the highest value of 0.40 at 600 degrees C. Morphology, composition and crystal structure of the samples were characterized by electron microscopies, energy dispersive X-ray spectroscopy, and X-ray diffraction analyses, respectively.

  • 15. Bazuev, Gennady V.
    et al.
    Tyutyunnik, Alexander P.
    Korolev, Alexander V.
    Suard, Emmanuelle
    Tai, Cheuk-Wai
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Tarakina, Nadezda V.
    The effect of manganese oxidation state on antiferromagnetic order in SrMn1-xSbxO3 (0 < x < 0.5) perovskite solid solutions2019In: Journal of Materials Chemistry C, ISSN 2050-7526, E-ISSN 2050-7534, Vol. 7, no 7, p. 2085-2095Article in journal (Refereed)
    Abstract [en]

    The mixed-valence manganese (Mn3+/Mn4+) solid solution, SrMn1-xSbxO3, was prepared for the first time. Two ranges of solid solutions were found: (1) SrMn1-xSbxO3 (0.025 x 0.09) with monoclinically distorted 6H-SrMnO3 polytype (sp. gr. C/2c) and (2) SrMn1-xSbxO3 (0.17 x 0.50) with a tetragonal unit cell (sp. gr. I4/mcm). Crystal structure refinement using X-ray and neutron powder diffraction data showed that the structure of the monoclinic solid solution consists of corner-sharing octahedra around sites occupied by manganese and antimony ions and face-sharing octahedra around sites occupied by manganese ions only, while the tetragonal solid solution has a random distribution of B-site cations. The presence of long-range antiferromagnetic order with a Neel temperature of about 148 K for SrMn0.80Sb0.20O3 and about 280 K for SrMn0.925Sb0.075O3 was found from the results of DC and AC susceptibility and neutron diffraction experiments at 5 K and 80 K.

  • 16. Bejhed, Rebecca S.
    et al.
    Strömme, Maria
    Svedlindh, Peter
    Ahlford, Annika
    Stockholm University, Faculty of Science, Department of Biochemistry and Biophysics. Stockholm University, Science for Life Laboratory (SciLifeLab).
    Strömberg, Mattias
    Magnetic nanobeads present during enzymatic amplification and labeling for a simplified DNA detection protocol based on AC susceptometry2015In: AIP Advances, ISSN 2158-3226, E-ISSN 2158-3226, Vol. 5, no 12, article id 127139Article in journal (Refereed)
    Abstract [en]

    Magnetic biosensors are promising candidates for low-cost point-of-care biodiagnostic devices. For optimal efficiency it is crucial to minimize the time and complexity of the assay protocol including target recognition, amplification, labeling and read-out. In this work, possibilities for protocol simplifications for a DNA biodetection principle relying on hybridization of magnetic nanobeads to rolling circle amplification (RCA) products are investigated. The target DNA is recognized through a padlock ligation assay resulting in DNA circles serving as templates for the RCA process. It is found that beads can be present during amplification without noticeably interfering with the enzyme used for RCA (phi29 polymerase). As a result, the bead-coil hybridization can be performed immediately after amplification in a one-step manner at elevated temperature within a few minutes prior to read-out in an AC susceptometer setup, i.e. a combined protocol approach. Moreover, by recording the phase angle xi = arctan(chi ''/chi'), where chi and chi '' are the in-phase and out-of-phase components of the AC susceptibility, respectively, at one single frequency the total assay time for the optimized combined protocol would be no more than 1.5 hours, often a relevant time frame for diagnosis of cancer and infectious disease. Also, applying the phase angle method normalization of AC susceptibility data is not needed. These findings are useful for the development of point-of-care biodiagnostic devices relying on bead-coil binding and magnetic AC susceptometry.

  • 17. Bejhed, Rebecca S.
    et al.
    Tian, Bo
    Eriksson, Kristofer
    Brucas, Rimantas
    Oscarsson, Sven
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Strömberg, Mattias
    Svedlindh, Peter
    Gunnarsson, Klas
    Magnetophoretic Transport Line System for Rapid On-Chip Attomole Protein Detection2015In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 31, no 37, p. 10296-10302Article in journal (Refereed)
    Abstract [en]

    A lab-on-a-chip traveling wave magnetophoresis approach for sensitive and rapid protein detection is reported. In this method, a chip-based magnetic microarray comprising lines of micrometer-sized thin film magnetic elements was used to control the movement of magnetic beads (MBs). The MBs and the chip were functionalized, forming a sandwich-type assay. The MBs were transported across a detection area, and the presence of target molecules resulted in the immobilization of MBs within this area. Target quantification was accomplished by MB counting in the detection area using an optical microscope. In order to demonstrate the versatility of the microarray, biotinylated antiavidin was selected as the target protein. In this case, avidin-functionalized MBs and an avidin-functionalized detection area were used. With a total assay time of 1 to 1.5 h (depending on the labeling approach used), a limit of detection in the attomole range was achieved. Compared to on-chip surface plasmon resonance biodetection systems, our method has a larger dynamic range and is about a factor of 500 times more sensitive. Furthermore, our MB transportation system can operate in any chip-based biosensor platform, thereby significantly improving traditional biosensors.

  • 18. Berastegui, Pedro
    et al.
    Tai, Cheuk-Wai
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Valvo, Mario
    Electrochemical reactions of AgFeO2 as negative electrode in Li- and Na-ion batteries2018In: Journal of Power Sources, ISSN 0378-7753, E-ISSN 1873-2755, Vol. 401, p. 386-396Article in journal (Refereed)
    Abstract [en]

    AgFeO2 nanoparticles synthesized via precipitation at room temperature are investigated in Li- and Na-ion cells through electrode coatings with an alginate binder. The electrochemical reactions of AgFeO2 with Li+ and Na+ ions, as well as its role as alternative negative electrode in these cell systems are carefully evaluated. Initial Li uptake causes irreversible amorphization of the AgFeO2 structure with concomitant formation of Ag-0 nano particles. Further Li incorporation results in conversion into Fe nanoparticles and Li2O, together with Li-alloying of these Ag-0 clusters. Similar mechanisms are also found upon Na uptake, although such processes are hindered by overpotentials, the capacity and reversibility of the reactions with Na+ ions being not comparable with those of their Li+ counterparts. The behaviour of AgFeO2 at low potentials vs. Li+ /Li displays a synergic pseudo-capacitive charge storage overlapping Li-Ag alloying/de-alloying. This feature is exploited in full cells having deeply lithiated AgFeO2 and LiFePO4 as negative and positive electrodes, respectively. These environmentally friendly iron-based full cells exhibit attractive cycle performances with approximate to 80% capacity retention after 1000 cycles without any electrolyte additive, average round trip efficiency of approximate to 89% and operational voltage of 3.0 V combined with built-in pseudo-capacitive characteristics that enable high cycling rates up to approximate to 25C.

  • 19.
    Biendicho, Jordi Jacas
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). STFC Rutherford Appleton Laboratory, England.
    Roberts, Matthew
    Noréus, Dag
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Lagerqvist, Ulrika
    Smith, Ronald I.
    Svensson, Gunnar
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Norberg, Stefan T.
    Eriksson, Sten G.
    Hull, Stephen
    In situ investigation of commercial Ni(OH)(2) and LaNi5-based electrodes by neutron powder diffraction2015In: Journal of Materials Research, ISSN 0884-2914, E-ISSN 2044-5326, Vol. 30, no 3, p. 407-416Article in journal (Refereed)
    Abstract [en]

    Electrochemical reactions at both positive and negative electrodes in a nickel metal hydride (Ni-MH) battery during charge have been investigated by in situ neutron powder diffraction. Commercially available beta-Ni(OH)(2) and LaNi5-based powders were used in this experiment as positive and negative electrodes, respectively. Exchange of hydrogen by deuterium for the beta-Ni(OH)(2) electrode was achieved by ex situ cycling of the cell prior to in situ measurements. Neutron diffraction data collected in situ show that the largest amount of deuterium contained at the positive electrode is de-intercalated from the electrode with no phase transformation involved up to similar to 100 mA h/g and, in addition, the 110 peak width for the positive electrode increases on charge. The negative electrode of composition MmNi(3.6)Al(0.4)Mn(0.3)Co(0.7), where Mm = Mischmetal, exhibits a phase transformation to an intermediate hydride gamma phase first and then to the beta phase on charge. Unit cell dimensions and phase fractions have been investigated by Rietveld refinement of the crystal structure.

  • 20. Boily, Jean-Francois
    et al.
    Yesilbas, Merve
    Uddin, Munshi Md. Musleh
    Lu, Baiqing
    Trushkina, Yulia
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Salazar-Alvarez, German
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Thin Water Films at Multifaceted Hematite Particle Surfaces2015In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 31, no 48, p. 13127-13137Article in journal (Refereed)
    Abstract [en]

    Mineral surfaces exposed to moist air stabilize nanometer- to micrometer-thick water films. This study resolves the nature of thin water film formation at multifaceted hematite (alpha-Fe2O3) nanoparticle surfaces with crystallographic faces resolved by selected area electron diffraction. Dynamic vapor adsorption (DVA) in the 0-19 Torr range at 298 K showed that these particles stabilize water films consisting of up to 4-5 monolayers. Modeling of these data predicts water loadings in terms of an adsorption regime (up to 16 H2O/nm(2)) involving direct water binding to hematite surface sites, and of a condensation regime (up to 34 H2O/nm(2)) involving water binding to hematite-bound water nanodusters. Vibration spectroscopy identified the predominant hematite surface hydroxo groups (-OH, mu-OH, mu(3)-OH) through which first layer water molecules formed hydrogen bonds, as well as surface iron sites directly coordinating water molecules (i.e., as geminal eta-(OH2)(2) sites). Chemometric analyses of the vibration spectra also revealed a strong correspondence in the response of hematite surface hydroxo groups to DVA-derived water loadings. These findings point to a near-saturation of the hydrogen-bonding environment of surface hydroxo groups at a partial water vapor pressure of similar to 8 Torr (similar to 40% relative humidity). Classical molecular dynamics (MD) resolved the interfacial water structures and hydrogen bonding populations at five representative crystallographic faces expressed in these nanoparticles. Simulations of single oriented slabs underscored the individual roles of all (hydro)oxo groups in donating and accepting hydrogen bonds with first layer water in the adsorption regime. These analyses pointed to the preponderance of hydrogen bond-donating -OH groups in the stabilization of thin water films. Contributions of mu-OH and mu(3)-OH groups are secondary, yet remain essential in the stabilization of thin water films. MD simulations also helped resolve crystallographic controls on water water interactions occurring in the condensation regime. Water water hydrogen bond populations are greatest on the (001) face, and decrease in importance in the order (001) > (012) approximate to (110) > (014) >> (100). Simulations of a single (similar to 5 nm x similar to 6 nm x similar to 6 nm) nanometric hematite particle terminated by the (001), (110), (012), and (100) faces also highlighted the key roles that sites at particle edges play in interconnecting thin water films grown along contiguous crystallographic faces. Hydroxo water hydrogen bond populations showed that edges were the preferential loci of binding. These simulations also suggested that equilibration times for water binding at edges were slower than on crystallographic faces. In this regard, edges, and by extension roughened surfaces, are expected to play commanding roles in the stabilization of thin water films. Thus, in focusing on the properties of nanometric-thick water layers at hematite surfaces, this study revealed the nature of interactions between water and multifaced particle surfaces. Our results pave the way for furthering our understanding of mineral-thin water film interfacial structure and reactivity on a broader range of materials.

  • 21.
    Borysov, Stanislav S.
    et al.
    Stockholm University, Nordic Institute for Theoretical Physics (Nordita).
    Olsthoorn, Bart
    Stockholm University, Nordic Institute for Theoretical Physics (Nordita). Stockholm University, Faculty of Science, Department of Physics.
    Gedik, M. Berk
    Stockholm University, Nordic Institute for Theoretical Physics (Nordita). KTH Royal Institute of Technology, Sweden.
    Geilhufe, R. Matthias
    Stockholm University, Nordic Institute for Theoretical Physics (Nordita).
    Balatsky, Alexander V.
    Stockholm University, Nordic Institute for Theoretical Physics (Nordita). University of Connecticut, USA.
    Online search tool for graphical patterns in electronic band structures2018In: Npj Computational Materials, ISSN 2057-3960, Vol. 4, article id 46Article in journal (Refereed)
    Abstract [en]

    Many functional materials can be characterized by a specific pattern in their electronic band structure, for example, Dirac materials, characterized by a linear crossing of bands; topological insulators, characterized by a Mexican hat pattern or an effectively free electron gas, characterized by a parabolic dispersion. To find material realizations of these features, manual inspection of electronic band structures represents a relatively easy task for a small number of materials. However, the growing amount of data contained within modern electronic band structure databases makes this approach impracticable. To address this problem, we present an automatic graphical pattern search tool implemented for the electronic band structures contained within the Organic Materials Database. The tool is capable of finding user-specified graphical patterns in the collection of thousands of band structures from high-throughput calculations in the online regime. Using this tool, it only takes a few seconds to find an arbitrary graphical pattern within the ten electronic bands near the Fermi level for 26,739 organic crystals. The source code of the developed tool is freely available and can be adapted to any other electronic band structure database.

  • 22.
    Brandt, Erik G.
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Lyubartsev, Alexander P.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Molecular Dynamics Simulations of Adsorption of Amino Acid Side Chain Analogues and a Titanium Binding Peptide on the TiO2 (100) Surface2015In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 119, no 32, p. 18126-18139Article in journal (Refereed)
    Abstract [en]

    Adsorption profiles and adsorption free energies were determined for the side chain analogues of the 20 naturally occurring amino acids and a titanium binding peptide on the TiO2 (100) surface. Microsecond simulations with umbrella sampling and metadynamics were used to sample the free energy barriers associated with desolvation of strongly bound water molecules at the TiO2 surface. Polar and aromatic side chain analogues that hydrogen bond either to surface waters or directly to the metal oxide surface were found to be the strongest binders. Further, adsorption simulations of a 6 residue titanium binding peptide identified two binding modes on TiO2 (100). The peptide structure with lowest free energy was shown to be stabilized by a salt bridge between the end termini. A comparison between the free energies of the side chain analogues of the peptide sequence and the peptide itself shows that the free energy contributions are not additive. The simulations emphasize that tightly bound surface waters play a key role for peptide and protein structures when bound to inorganic surfaces in biological environments.

  • 23.
    Brandt, Erik G.
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Lyubartsev, Alexander P.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Systematic Optimization of a Force Field for Classical Simulations of TiO2-Water Interfaces2015In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 119, no 32, p. 18110-18125Article in journal (Refereed)
    Abstract [en]

    Atomistic force field parameters were developed for the TiO2-water interface by systematic optimization with respect to experimentally determined crystal structures (lattice parameters) and surface thermodynamics (water adsorption enthalpy). Optimized force field parameters were determined for the two cases where TiO2 was modeled with or without covalent bonding. The nonbonded TiO2 model can be used to simulate different TiO2 phases, while the bonded TiO2 model is particularly useful for simulations of nanosized TiO2 and biomatter, including protein-surface and nanoparticle-biomembrane simulations. The procedure is easily generalized to parametrize interactions between other inorganic surfaces and biomolecules.

  • 24. Candelario, Victor M.
    et al.
    Moreno, Rodrigo
    Shen, Zhijian
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Guiberteau, Fernando
    Ortiz, Angel L.
    Liquid-phase assisted spark-plasma sintering of SiC nanoceramics and their nanocomposites with carbon nanotubes2017In: Journal of the European Ceramic Society, ISSN 0955-2219, E-ISSN 1873-619X, Vol. 37, no 5, p. 1929-1936Article in journal (Refereed)
    Abstract [en]

    The appropriate conditions for liquid-phase assisted spark-plasma sintering (SPS) were identified for the fabrication of both SiC nanoceramics and their nanocomposites with carbon nanotubes (CNTs). A parametric study of the nanoceramics and nanocomposites with a given type of CNTs showed that the SPS temperature (as measured by the radial optical pyrometer) optimizing their densification, nanograin size, and mechanical properties is 1700 degrees C (soaking for a few minutes), below which there is incomplete densification, and above which there is obvious grain growth with no benefit in hardness or toughness in the case of the nanoceramics, and prejudicial to both properties in the case of the nanocomposites due to the CNT degradation. It was also shown that the nanocomposites have smaller nanograins than their nanoceramic counterparts, and are softer but tougher. Extension to nanocomposites with different types of CNTs confirmed these trends, and showed that the CNT features do not condition the densification, microstructure or mechanical properties of these nanocomposites.

  • 25. Candelario, Victor M.
    et al.
    Moreno, Rodrigo
    Shen, Zhijian
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Ortiz, Angel L.
    Aqueous colloidal processing of nano-SiC and its nano-Y3Al5O12 liquid-phase sintering additives with carbon nanotubes2015In: Journal of the European Ceramic Society, ISSN 0955-2219, E-ISSN 1873-619X, Vol. 35, no 13, p. 3363-3368Article in journal (Refereed)
    Abstract [en]

    Carbon nanotubes (CNTs) have occasionally been observed to benefit the aqueous colloidal processing of nano-SiC with its nano-Y3Al5O12 liquid-phase-sintering additives. Experimental evidence is here presented for a broad set of CNTs with different morphology and/or surface functionalization confirming that CNTs (7 vol.% addition), regardless of their features, prevent the coagulation of these nanoceramic suspensions, whence it is inferred that aqueous colloidal processing is well-suited for the environmentally friendly preparation of the homogeneous mixtures of nanoceramic particles and CNTs required for the fabrication of CNT-reinforced ceramic matrix nanocomposites. Furthermore, it is shown that surface-functionalized CNTs seem to work better than deflocculated CNTs for the preparation of stable concentrated colloidal suspensions, whose rheological properties are in general very close, but with thinner CNTs being nonetheless preferable. Finally, the feasibility is demonstrated of fabricating SiC/CNT nanocomposites by aqueous colloidal processing followed by liquid-phase assisted spark-plasma sintering.

  • 26.
    Carlström, Johan
    et al.
    Stockholm University, Faculty of Science, Department of Physics.
    Stålhammar, Marcus
    Stockholm University, Faculty of Science, Department of Physics.
    Budich, Jan Carl
    Bergholtz, Emil J.
    Stockholm University, Faculty of Science, Department of Physics.
    Knotted non-Hermitian metals2019In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 99, no 16, article id 161115Article in journal (Refereed)
    Abstract [en]

    We report on the occurrence of knotted metallic band structures as stable topological phases in non-Hermitian (NH) systems. These knotted NH metals are characterized by open Fermi surfaces, known in mathematics as Seifert surfaces, that are bounded by knotted lines of exceptional points. Quite remarkably, and in contrast to the situation in Hermitian systems, no fine tuning or symmetries are required in order to stabilize these exotic phases of matter. By explicit construction, we derive microscopic tight-binding models hosting knotted NH metals with strictly short-ranged hopping, and investigate the stability of their topological properties against perturbations. Building up on recently developed experimental techniques for the realization of NH band structures, we discuss how the proposed models may be experimentally implemented in photonic systems.

  • 27.
    Cavalca, Filippo
    et al.
    Stockholm University, Faculty of Science, Department of Physics. SLAC National Accelerator Laboratory, United States.
    Ferragut, Rafael
    Aghion, Stefano
    Eilert, André
    Stockholm University, Faculty of Science, Department of Physics. SLAC National Accelerator Laboratory, United States; Stanford University, United States.
    Diaz-Morales, Oscar
    Stockholm University, Faculty of Science, Department of Physics.
    Liu, Chang
    Stockholm University, Faculty of Science, Department of Physics.
    Koh, Ai Leen
    Hansen, Thomas W.
    Pettersson, Lars G. M.
    Stockholm University, Faculty of Science, Department of Physics.
    Nilsson, Anders
    Stockholm University, Faculty of Science, Department of Physics.
    Nature and Distribution of Stable Subsurface Oxygen in Copper Electrodes During Electrochemical CO2 Reduction2017In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 121, no 45, p. 25003-25009Article in journal (Refereed)
    Abstract [en]

    Oxide-derived copper (OD-Cu) electrodes exhibit higher activity than pristine copper during the carbon dioxide reduction reaction (CO2RR) and higher selectivity toward ethylene. The presence of residual subsurface oxygen in OD-Cu has been proposed to be responsible for such improvements, although its stability under the reductive CO2RR conditions remains unclear. This work sheds light on the nature and stability of subsurface oxygen. Our spectroscopic results show that oxygen is primarily concentrated in an amorphous 1-2 nm thick layer within the Cu subsurface, confirming that subsurface oxygen is stable during CO2RR for up to 1 h at -1.15 V vs RHE. Besides, it is associated with a high density of defects in the OD-Cu structure. We propose that both low coordination of the amorphous OD-Cu surface and the presence of subsurface oxygen that withdraws charge from the copper sp- and d-bands might selectively enhance the binding energy of CO.

  • 28. Celania, Chris
    et al.
    Smetana, Volodymyr
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). U.S. Department of Energy, United States.
    Provino, Alessia
    Manfrinetti, Pietro
    Mudring, Anja-Verena
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). U.S. Department of Energy, United States; Iowa State University, United States.
    R-14(Au, M)(51) (R = Y, La-Nd, Sm-Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi): Stability Ranges and Site Preference in the Gd14Ag51 Structure Type2018In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 18, no 2, p. 993-1001Article in journal (Refereed)
    Abstract [en]

    Twenty new ternary representatives of the Gd14Ag51 structure type have been synthesized within the R-Au-M family (R = Y, La-Nd, Sm-Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, Sn, Sb, Bi) using solid state synthesis techniques. The list of post transition metals (M) involved in the formation of this type of structure could be augmented by five new representatives. All compounds crystallize in the hexagonal space group P6/m (#175) with the unit cell ranges of a = 12.3136(2)-12.918(1) angstrom and c = 8.9967(3)-9.385(1) angstrom, and incorporate different degrees of Au/M mixing. The involvement of the post transition element in the structure varies from one to another compound both qualitatively and quantitatively. A rather significant phase width can be expected for the majority of compounds, however, not without exclusions. The distribution of the post transition metals within the structure has been analyzed via single crystal X-ray diffraction. While the positional disorder of one near-origin Au position is expectable for all compounds due to steric reasons, two specimens show an obvious deviation from the others including another Au position split along the c axis. Possible factors affecting this behavior are discussed.

  • 29.
    Chamoun, Mylad
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Brant, William R.
    Tai, Cheuk-Wai
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Karlsson, Gunder
    Noréus, Dag
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Rechargeability of aqueous sulfate Zn/MnO2 batteries enhanced by accessible Mn2+ ions2018In: Energy storage materials, ISSN 2405-8289, Vol. 15, p. 351-360Article in journal (Refereed)
    Abstract [en]

    The Zn/MnO2 battery is safe, low cost and comes with a high energy density comparable to Li-ion batteries. However, irreversible spinel phases formed at the MnO2 electrode limits its cyclability. A viable solution to overcome this inactive phase is to use an aqueous ZnSO4-based electrolyte, where pH is mildly acidic leading to a different reaction mechanism. Most importantly, the addition of MnSO4 achieves excellent cyclability. How accessible Mn2+ ions in the electrolyte enhances the reversibility is presented. With added Mn2+, the capacity retention is significantly improved over 100 cycles. Zn2+ insertion plays an important role on the reversibility and a hydrated layered Zn-buserite structure formed during charge is reported. Furthermore, Zn4SO4(OH)(6) center dot 5H(2)O precipitates during discharge but is not involved in the electrochemical reaction. This precipitate both buffers the pH and partly insulates the surface. Described in operando study show how the phase transformations and the failure mechanisms depend on the presence of Mn2+-ions in the electrolyte. These results give insight necessary to improve this battery further to make it a worthy contender to the Li-ion battery in large scale energy storage solutions.

  • 30.
    Chamoun, Mylad
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Skarman, Bjorn
    Vidarsson, Hilmar
    Smith, Ronald I.
    Hull, Stephen
    Lelis, Martynas
    Milcius, Darius
    Noréus, Dag
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Stannate Increases Hydrogen Evolution Overpotential on Rechargeable Alkaline Iron Electrodes2017In: Journal of the Electrochemical Society, ISSN 0013-4651, E-ISSN 1945-7111, Vol. 164, no 6, p. A1251-A1257Article in journal (Refereed)
    Abstract [en]

    Alkaline iron electrodes present some challenges for use in secondary batteries that are associated with low coulombic efficiency and discharge utilization. Low coulombic efficiency is correlated to the hydrogen evolution reaction that takes place during charge. In this work, we demonstrate rechargeable alkaline iron electrodes with significant capacity retention over 150 cycles with high efficiency by suppressing the hydrogen evolution with stannate. Adding stannate to the alkaline electrolyte when cycling the iron electrode drastically changes the electrochemistry. The additive brings on two advantageous attributes for the iron electrode: increased hydrogen evolution overpotential, and a flat and prolonged discharge curve at typical battery operation. These attributes were provided by a novel intermediate phase that was detected from in situ neutron diffraction measurements. This phase was only detected in situ while it decomposed ex situ, and indicated a solid solution constituted by some of the elements present in the electrode.

  • 31. Chen, Nan
    et al.
    Ma, Guoqiang
    Zhu, Wanquan
    Godfrey, Andrew
    Shen, Zhijian
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Wu, Guilin
    Huang, Xiaoxu
    Enhancement of an additive-manufactured austenitic stainless steel by post-manufacture heat-treatment2019In: Materials Science & Engineering: A, ISSN 0921-5093, E-ISSN 1873-4936, Vol. 759, p. 65-69Article in journal (Refereed)
    Abstract [en]

    The effect of post-manufacture heat-treatment on the mechanical strength of an additively-manufactured austenitic stainless steel has been investigated. Microstructural investigations revealed that the as-manufactured material exhibited a multi-scale structure, composed of grains, cells, dislocations and nano-sized particles. Annealing at 400 degrees C resulted in a 10% increase in yield strength, associated with the additional precipitation of a population of nano-sized silicates. Annealing at higher temperatures resulted in a decrease in strength, attributed primarily to the thermal instability of the cell structure in the as-manufactured material. The results demonstrate that by careful control of annealing conditions the structure and mechanical properties of additively-manufactured austenitic stainless steel can be optimized by post-manufacture heat-treatment.

  • 32. Chen, Yanping
    et al.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Huang, Shiliang
    Liang, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Peking University, China.
    Lin, Xiaohuan
    Liao, Fuhui
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Peking University, China.
    Wang, Yingxia
    Lin, Jianhua
    Gies, Hermann
    PKU-20: A new silicogermanate constructed from sti and asv layers2016In: Microporous and Mesoporous Materials, ISSN 1387-1811, E-ISSN 1873-3093, Vol. 224, p. 384-391Article in journal (Refereed)
    Abstract [en]

    A new silicogermanate (PKU-20) was hydrothermally synthesized using triethylisopropylammonium cation as the structure directing agent in the presence of fluoride. Its structure was determined from a combination of synchrotron single crystal X-ray diffraction and powder X-ray diffraction data. PKU-20 crystallizes in the monoclinic space group C2/m, with the lattice parameters of a = 18.5901(6) angstrom, b = 13.9118 (4) angstrom, c = 22.2614(7) angstrom and beta = 100.1514 (12)degrees. The framework of PKU-20 is constructed from an alternate stacking of sti and asv layers. The sti layer is exactly the same as that in the STI framework, while the asv layer is a new layer sliced off from the ASV framework parallel to the (112) plane. The takeout scheme of the layer is discussed on the basis of a composite building unit D4R-/au-D4R. PKU-20 possesses a two-dimensional channel system, where the 10-ring channels parallel to the [010] direction are intercrossed by 12-ring pockets along the [101] direction.

  • 33. Cho, Hae Sung
    et al.
    Hill, Adam R.
    Cho, Minhyung
    Miyasaka, Keiichi
    Jeong, Kyungmin
    Anderson, Michael W.
    Kang, Jeung Ku
    Terasaki, Osamu
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Korea Advanced Institute of Science and Technology (KAIST), Republic of Korea; School of Physical Science and Technology, China.
    Directing the Distribution of Potassium Cations in Zeolite-LTL through Crown Ether Addition2017In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 17, no 9, p. 4516-4521Article in journal (Refereed)
    Abstract [en]

    We discover that the crystal morphology of zeolite-LTL could be modified by crown ether (21-crown-7, CE), where CE decreases the aspect ratio of zeolite-LTL while increasing the nucleation of domains on the (0001) face and hindering their growth along the c-axes. Moreover, the study using scanning electron microscopy supports that the ratio between the rates for generation of cancrinite columns and bridging cancrinite columns on the {10 (1) over bar0} face remains constant among the LTL frameworks with different amounts of CE molecules. In addition, X-ray diffraction analysis shows that potassium cations redistribute into pore cavities (t-lil) from cancrinite cages (t-can) and t-ste cages by the strong interactions between potassium and CE as the amount of CE molecules is increased. Additionally, Monte Carlo simulations clarify that stabilization of the t-lil cage via the redistribution of potassium cations at high CE concentration is attributed to the dominant effect in the crystal morphology changes observed. To understand the catalytic and adsorption properties of zeolites, it is important to investigate their structure/property relationships. Especially, studying the morphology of an anisotropic zeolite crystals has been of great interest because of the strong influence on controlling its properties. Thus, morphological control of the material with a particular crystallographic direction is highly desirable to obtain maximum properties for applications.

  • 34.
    Church, Tamara L.
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Bernin, Diana
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). University of Gothenburg, Sweden.
    Garcia-Bennett, Alfonso E.
    Hedin, Niklas
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Dispersed Uniform Nanoparticles from a Macroscopic Organosilica Powder2018In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 34, no 6, p. 2274-2281Article in journal (Refereed)
    Abstract [en]

    A colloidal dispersion of uniform organosilica nanoparticles could be produced via the disassembly of the non-surfactant-templated organosilica powder nanostructured folate material (NFM-1). This unusual reaction pathway was available because the folate and silica-containing moieties in NFM-1 are held together by noncovalent interactions. No precipitation was observed from the colloidal dispersion after a week, though particle growth occurred at a solvent-dependent rate that could be described by the Lifshitz-Slyozov-Wagner equation. An organosilica film that was prepared from the colloidal dispersion adsorbed folate-binding protein from solution but adsorbed ions from a phosphate -buffered saline solution to a larger degree. To our knowledge, this is the first instance of a colloidal dispersion of organosilica nanoparticles being derived from a macroscopic material rather than from molecular precursors.

  • 35.
    Cichocka, Magdalena O.
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Lorgouilloux, Yannick
    Smeets, Stef
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Wan, Wei
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Caullet, Philippe
    Bats, Nicolas
    McCusker, Lynne B.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). ETH Zurich, Switzerland.
    Paillaud, Jean-Louis
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Multidimensional Disorder in Zeolite IM-18 Revealed by Combining Transmission Electron Microscopy and X-ray Powder Diffraction Analyses2018In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 18, no 4, p. 2441-2451Article in journal (Refereed)
    Abstract [en]

    A new medium-pore germanosilicate, denoted IM-18, with a three-dimensional 8 x 8 x 10-ring channel system, has been prepared hydrothermally using 4-dimethylaminopyridine as an organic structure-directing agent (OSDA). Due to the presence of stacking disorder, the structure elucidation of IM-18 was challenging, and a combination of different techniques, including electron diffraction, high-resolution transmission electron microscopy (HRTEM), and Rietveld refinement using synchrotron powder diffraction data, was necessary to elucidate the details of the structure and to understand the nature of the disorder. Rotation electron diffraction data were used to determine the average structure of IM-18, HRTEM images to characterize the stacking disorder, and Rietveld refinement to locate the Ge in the framework and the OSDA occluded in the channels.

  • 36. Călugăru, Dumitru
    et al.
    Juričić, Vladimir
    Stockholm University, Nordic Institute for Theoretical Physics (Nordita).
    Roy, Bitan
    Higher-order topological phases: A general principle of construction2019In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 99, no 4, article id 041301Article in journal (Refereed)
    Abstract [en]

    We propose a general principle for constructing higher-order topological (HOT) phases. We argue that if a D-dimensional first-order or regular topological phase involves m Hermitian matrices that anticommute with additional p - 1 mutually anticommuting matrices, it is conceivable to realize an nth-order HOT phase, where n = 1, ..., p, with appropriate combinations of discrete symmetry-breaking Wilsonian masses. An nth-order HOT phase accommodates zero modes on a surface with codimension n. We exemplify these scenarios for prototypical three-dimensional gapless systems, such as a nodal-loop semimetal possessing SU(2) spin-rotational symmetry, and Dirac semimetals, transforming under (pseudo)spin-1/2 or 1 representations. The former system permits an unprecedented realization of a fourth-order phase, without any surface zero modes. Our construction can be generalized to HOT insulators and superconductors in any dimension and symmetry class.

  • 37. Dalou, Celia
    et al.
    Füri, Evelyn
    Deligny, Cécile
    Piani, Laurette
    Caumon, Marie-Camille
    Laumonier, Mickael
    Boulliung, Julien
    Edén, Mattias
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Redox control on nitrogen isotope fractionation during planetary core formation2019In: Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, E-ISSN 1091-6490, Vol. 116, no 29, p. 14485-14494Article in journal (Refereed)
    Abstract [en]

    The present-day nitrogen isotopic compositions of Earth's surficial (N-15-enriched) and deep reservoirs (N-15-depleted) differ significantly. This distribution can neither be explained by modern mantle degassing nor recycling via subduction zones. As the effect of planetary differentiation on the behavior of N isotopes is poorly understood, we experimentally determined N-isotopic fractionations during metal-silicate partitioning (analogous to planetary core formation) over a large range of oxygen fugacities (Delta IW -3.1 < logfO(2) <Delta IW -0.5, where Delta IW is the logarithmic difference between experimental oxygen fugacity [fO(2)] conditions and that imposed by the coexistence of iron and wustite) at 1 GPa and 1,400 degrees C. We developed an in situ analytical method to measure the N-elemental and -isotopic compositions of experimental run products composed of Fe-C-N metal alloys and basaltic melts. Our results show substantial N-isotopic fractionations between metal alloys and silicate glasses, i.e., from -257 +/- 22% to -49 +/- 1% over 3 log units of fO(2). These large fractionations under reduced conditions can be explained by the large difference between N bonding in metal alloys (Fe-N) and in silicate glasses (as molecular N-2 and NH complexes). We show that the delta N-15 value of the silicate mantle could have increased by similar to 20 parts per thousand during core formation due to N segregation into the core.

  • 38. de Moraes, Elisangela Guzi
    et al.
    Li, Duan
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Colombo, Paolo
    Shen, Zhijian
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Silicon nitride foams from emulsions sintered by rapid intense thermal radiation2015In: Journal of the European Ceramic Society, ISSN 0955-2219, E-ISSN 1873-619X, Vol. 35, no 12, p. 3263-3272Article in journal (Refereed)
    Abstract [en]

    Open cell Si3N4 foams were fabricated by an emulsification process and subsequent sintering. Emulsification took place in an aqueous environment by using octane as alkane phase and a surfactant as stabilizer. Effects of different octane concentrations (50 vol% and 70 vol%) and stirring velocities (700 rpm and 1000 rpm) on porosity and pore size distribution were investigated. The shaped foams were pressureless sintered at 1600 degrees C inside a modified SPS set-up. Si3N4 foams decorated with SiC nanowires and with an average cell size of 8-41 mu m and total porosity of 80-86 vol% were obtained. The compressive strength ranged from 2.0 MPa up to 9.9 MPa. Both the foaming and sintering processes contributed to the development of different microstructures.

  • 39. Delaunay, R.
    et al.
    Gatchell, Michael
    Stockholm University, Faculty of Science, Department of Physics.
    Mika, A.
    Domaracka, A.
    Adoui, L.
    Zettergren, Henning
    Stockholm University, Faculty of Science, Department of Physics.
    Cederquist, Henrik
    Stockholm University, Faculty of Science, Department of Physics.
    Rousseau, P.
    Huber, B. A.
    Shock-driven formation of covalently bound carbon nanoparticles from ion collisions with clusters of C-60 fullerenes2018In: Carbon, ISSN 0008-6223, E-ISSN 1873-3891, Vol. 129, p. 766-774Article in journal (Refereed)
    Abstract [en]

    We show that the energetic processing of C-60 clusters by slow atomic projectiles leads to ultrafast (< ps) formation of large covalent carbon nanoparticles containing a few hundreds of atoms. The underlying mechanism is found to be due to impulse-driven collisions between the projectile and the nuclei of the molecules. Experimental findings are well reproduced by classical molecular dynamics simulations. The cross sections for molecular growth processes forming covalent systems which contain more than 60 carbon atoms are about 5.10(-14) cm(2) representing more than 70% of the geometrical cross sections. This demonstrates the high efficiency of the underlying processes. The formed carbon nanoparticles contain both aromatic and aliphatic structures which have also been considered as dust components in space.

  • 40. Di Marcantonio, M.
    et al.
    Namanga, J. E.
    Smetana, Volodymyr
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Gerlitzki, N.
    Vollkommer, F.
    Mudring, Anja-Verena
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Bacher, G.
    Nannen, E.
    Green-yellow emitting hybrid light emitting electrochemical cell2017In: Journal of Materials Chemistry C, ISSN 2050-7526, E-ISSN 2050-7534, Vol. 5, no 46, p. 12062-12068Article in journal (Refereed)
    Abstract [en]

    Light-emitting electrochemical cells (LECs) are attractive candidates for future low-cost lighting applications such as light-emitting smart tags, thanks to their simplicity, fully solution-based fabrication and flexibility. However, high brightness and efficiency in combination with satisfactory operation lifetimes need to be achieved for different emission colours bearing future device commercialization in mind. LECs emitting in the yellow-green spectral range, where the human eye is most sensitive are thereby particularly attractive. Here we present an improved hybrid LEC based on an Ir-iTMC, [Ir(4-Fppy)(2)(pbpy)][PF6] (4-Fppy = 2-(4-fluorophenyl) pyridinato, pbpy = 6-phenyl-2,2'-bipyridine) emitting at 557 nm. It features a luminance of 2400 cd m(-2) when driven at a constant voltage of 4 V, and a lifetime of 271 h at a luminance of 1500 cd m(-2) under pulsed current operation. The hybrid LEC shows an enhanced performance compared to a LEC solely based on the Ir-ITMC where operation lifetimes of 165 h at a luminance above 1200 cd m(-2) under pulsed current operation conditions were observed. The performance improvement was achieved by addition of a solution-processed ZnO nanoparticle film on top.

  • 41.
    Dong, Hanwu
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). South China Agricultural University, China.
    Huang, Cunke
    Moser, David
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). EURAC Research, Italy.
    Noréus, Dag
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zhu, Min
    Structure and stability of high pressure synthesized MgTM2H6 (TM = Zr, Nb) hydrides2015In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 96, p. 237-248Article in journal (Refereed)
    Abstract [en]

    The structure of two isomorphous high pressure synthesized metal hydrides MgZr2H6 and MgNb2H6 is described in the R-3m space group with the hexagonal unit cells a = 3.3592(2) angstrom, c = 25.131(3) angstrom and a = 3.2901(9) angstrom, c = 23.09(1) angstrom, respectively (Z = 3). The metal atom structures were refined from powder XRD data, with Mg in the 3a site (0, 0, 0,) and Zr and Nb in the 6c site (0, 0, z) with the only refineable atomic parameter z = 0.225 and z = 0.220, respectively. As only a minute sample could be produced in the anvil cell, a conventional structural determination with neutron diffraction on a deuterated sample could not be made. Instead formation energies of the all proposed structural models were calculated using density functional theory (DFT) for accessing the most stable structure of the lowest energy level. The measured lattice parameters and the refined atomic positional parameters from the powder X-ray diffraction pattern were reproduced well by the OFT calculation. The hydrogen atoms were found to fully occupy an octahedral site coordinated by 3Mg and 3Zr atoms, a tetrahedral site coordinated by 4Zr atoms and another tetrahedral site coordinated by 3Mg and 1Zr atoms. Chemical, mechanical and dynamical stabilities of the MgZr2H6 structure were further discussed based on a chemical potential equilibrium diagram constructed from the calculated formation energies, calculated elastic constants and phonon spectra respectively. It is also shown that a high pressure increases the stability of the new hydrides.

  • 42. Dos Santos, Egon C.
    et al.
    Lourenco, Maicon P.
    Pettersson, Lars G. M.
    Stockholm University, Faculty of Science, Department of Physics.
    Duarte, Hélio A.
    Stability, Structure, and Electronic Properties of the Pyrite/Arsenopyrite Solid-Solid Interface-A DFT Study2017In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 121, no 14, p. 8042-8051Article in journal (Refereed)
    Abstract [en]

    Pyrite is the most common sulfide in the Earth. In the presence of arsenopyrite its oxidation is delayed, and instead, the arsenopyrite increases its oxidation rate, releasing As(III) and As(V) species in the medium. DFT/plane waves calculations were performed on pyrite/arsenopyrite interface models to understand the stability, structure, and electronic properties of the interface. This is the first step to understand the influence of the inlaid arsenopyrite in the pyrite oxidation mechanism. The interface is slightly stressed with minor changes in the bond lengths and lattice parameters with respect to the pure phases. The work of adhesion and the formation energy indicate that the miscibility of the two phases is not favorable, explaining the presence of large domains of either pyrite or arsenopyrite forming bulk granular regions. The valence band of the pyrite/arsenopyrite interface has large contributions from the pyrite phase, while the conduction band has large contributions from the arsenopyrite. This is consistent with the pyrite as cathode and arsenopyrite as anode in a galvanic contact. Furthermore, the interface formation shifts the valence states upward and decreases the band gap, facilitating interfacial electron transfer.

  • 43.
    Dunnett, Kirsty
    et al.
    Stockholm University, Nordic Institute for Theoretical Physics (Nordita).
    Ferrier, A.
    Zamora, A.
    Dagvadorj, G.
    Szymanska, M. H.
    Properties of the signal mode in the polariton optical parametric oscillator regime2018In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 98, no 16, article id 165307Article in journal (Refereed)
    Abstract [en]

    Theoretical analyses of the polariton optical parametric oscillator (OPO) regime often rely on a mean-field approach based on the complex Gross-Pitaevskii equations in a three-mode approximation, where only three momentum states, the signal, pump, and idler, are assumed to be significantly occupied. This approximation, however, lacks a constraint to uniquely determine the signal and idler momenta. In contrast, multimode numerical simulations and experiments show a unique momentum structure for the OPO states. In this work we show that an estimate for the signal momentum chosen by the system can be found from a simple analysis of the pump-only configuration. We use this estimate to investigate how the chosen signal momentum depends on the properties of the drive.

  • 44. Eklöf-Österberg, Carin
    et al.
    Nedumkandathil, Reji
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Häussermann, Ulrich
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Jaworski, Aleksander
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Pell, Andrew J.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Tyagi, Madhusudan
    Jalarvo, Niina H.
    Frick, Bernhard
    Faraone, Antonio
    Karlsson, Maths
    Dynamics of Hydride Ions in Metal Hydride-Reduced BaTiO3 Samples Investigated with Quasielastic Neutron Scattering2019In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 123, no 4, p. 2019-2030Article in journal (Refereed)
    Abstract [en]

    Perovskite-type oxyhydrides, BaTiO3-xHx, have been recently shown to exhibit hydride-ion (H-) conductivity at elevated temperatures, but the underlying mechanism of hydride-ion conduction and how it depends on temperature and oxygen vacancy concentration remains unclear. Here, we investigate, through the use of quasielastic neutron scattering techniques, the nature of the hydride-ion dynamics in three metal hydride-reduced BaTiO3 samples that are characterized by the simultaneous presence of hydride ions and oxygen vacancies. Measurements of elastic fixed window scans upon heating reveal the presence of quasielastic scattering due to hydride-ion dynamics for temperatures above ca. 200 K. Analyses of quasielastic spectra measured at low (225 and 250 K) and high (400-700 K) temperature show that the dynamics can be adequately described by established models of jump diffusion. At low temperature, <= 250 K, all of the models feature a characteristic jump distance of about 2.8 angstrom, thus of the order of the distance between neighboring oxygen atoms or oxygen vacancies of the perovskite lattice and a mean residence time between successive jumps of the order of 0.1 ns. At higher temperatures, >400 K, the jump distance increases to about 4 angstrom, thus of the order of the distance between next-nearest neighboring oxygen atoms or oxygen vacancies, with a mean residence time of the order of picoseconds. A diffusion constant D was computed from the data measured at low and high temperatures, respectively, and takes on values of about 0.4 X 10(-6) cm(-2) s(-1) at the lowest applied temperature of 225 K and between ca. 20 X 10(-6) and 100 X 10(-6) cm(-2) s(-1) at temperatures between 400 and 700 K. Activation energies E-a were derived from the measurements at high temperatures and take on values of about 0.1 eV and show a slight increase with increasing oxygen vacancy concentration.

  • 45.
    Elias-Wolff, Federico
    et al.
    Stockholm University, Faculty of Science, Department of Biochemistry and Biophysics. Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Lindén, Martin
    Lyubartsev, Alexander P.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Brandt, Erik G.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Curvature sensing by cardiolipin in simulated buckled membranes2019In: Soft Matter, ISSN 1744-683X, E-ISSN 1744-6848, Vol. 15, no 4, p. 792-802Article in journal (Refereed)
    Abstract [en]

    Cardiolipin is a non-bilayer phospholipid with a unique dimeric structure. It localizes to negative curvature regions in bacteria and is believed to stabilize respiratory chain complexes in the highly curved mitochondrial membrane. Cardiolipin's localization mechanism remains unresolved, because important aspects such as the structural basis and strength for lipid curvature preferences are difficult to determine, partly due to the lack of efficient simulation methods. Here, we report a computational approach to study curvature preferences of cardiolipin by simulated membrane buckling and quantitative modeling. We combine coarse-grained molecular dynamics with simulated buckling to determine the curvature preferences in three-component bilayer membranes with varying concentrations of cardiolipin, and extract curvature-dependent concentrations and lipid acyl chain order parameter profiles. Cardiolipin shows a strong preference for negative curvatures, with a highly asymmetric chain order parameter profile. The concentration profiles are consistent with an elastic model for lipid curvature sensing that relates lipid segregation to local curvature via the material constants of the bilayers. These computations constitute new steps to unravel the molecular mechanism by which cardiolipin senses curvature in lipid membranes, and the method can be generalized to other lipids and membrane components as well.

  • 46. Emam, Hossam E.
    et al.
    Abdelhamid, Hani Nasser
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Assuit University, Egypt.
    Abdelhameed, Reda M.
    Self-cleaned photoluminescent viscose fabric incorporated lanthanide-organic framework (Ln-MOF)2018In: Dyes and pigments, ISSN 0143-7208, E-ISSN 1873-3743, Vol. 159, p. 491-498Article in journal (Refereed)
    Abstract [en]

    Photoluminescent textiles emitted light in ultraviolet (UV)-radiation region has advanced a variety of applications including military and police clothes. The current study reports the preparation of photoluminescent viscose fabrics incorporated lanthanide metal-organic framework (Ln-MOF) and their applications for self-cleaning. In situ growth of Ln (Eu3+, Tb3+) MOF into viscose fabrics were achieved using Ln (NO3)(3) and 1,2,4,5-benzenetetracarboxylic dianhydride as organic ligand. The in-growth Ln-MOF within fabrics were characterized using X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscope, energy dispersive X-ray, and fluorescence spectroscopy. Under the UV lamb (345 nm), Eu-MOF@viscose fabric and Tb-MOF@viscose fabric visually emitted red and green color, respectively. The excitation-emission spectra showed the spectra for the D-5(0)-> F-7(0.4) transitions and D-5(4)-> F-7(5) transitions in case of Eu-MOF and Tb-MOF@viscose fabrics, respectively. The photoluminescent properties of Ln-MOF@viscose fabrics were enhanced after reactive dying process. The self-cleaning functions of Ln-MOF@viscose fabrics were estimated through studying the photo-degradation of Rhodamine B (RhB) dye over the fabrics. After 120 min irradiation time, the photo-degradation of RhB dye was 85-97%, indicating high performance of Ln-MOF@viscose fabric. The materials are promising for advanced applications including protective clothing, textile-based sensors, smart tagging and tickets.

  • 47.
    Eriksson, Mirva
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Radwan, Mohamed
    Shen, Zhijian James
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Spark plasma sintering of wc, cemented carbide and functional graded materials2013In: International journal of refractory metals & hard materials, ISSN 0958-0611, E-ISSN 2213-3917, ISSN 0263-4368, Vol. 36, p. 31-37Article in journal (Refereed)
    Abstract [en]

    Spark plasma sintering (SPS) is an extremely fast solidification technique for compounds that are difficult to sinter within the material group's metals, ceramics, or composites thereof. SPS uses a uniaxial pressure and a very rapid heating cycle to consolidate these materials. The heating is generated by Joule effect when a strong, pulsed electric current passes the conductive graphite die and also through the sample, if conductive. Cemented carbides (hard metals) are mostly used for metal cutting and drilling, wood cutting or rock drilling tools and are consolidated either by pressureless sintering (PLS), hot pressing (HP), or hot isostatic pressing (HIP). With SPS the main benefit is the ability to control the WC grain size due to the short sintering times at high temperature. In addition, unwished reactions between WC and cobalt to form other phases are minimized. By SPS the amount of cobalt can be reduced towards zero in fully dense WC materials. With this technique it is easy to prepare gradient materials where a ductile weldable metal can be joined with the cemented carbide part.

  • 48.
    Ewels, Philip
    et al.
    Stockholm University, Faculty of Science, Department of Biochemistry and Biophysics. Stockholm University, Science for Life Laboratory (SciLifeLab).
    Sikora, Thierry
    Serin, Virginie
    Ewels, Chris P.
    Lajaunie, Luc
    A Complete Overhaul of the Electron Energy-Loss Spectroscopy and X-Ray Absorption Spectroscopy Database: eelsdb.eu2016In: Microscopy and Microanalysis, ISSN 1431-9276, E-ISSN 1435-8115, Vol. 22, no 3, p. 717-724Article in journal (Refereed)
    Abstract [en]

    The electron energy-loss spectroscopy (EELS) and X-ray absorption spectroscopy (XAS) database has been completely rewritten, with an improved design, user interface, and a number of new tools. The database is accessible at https://eelsdb.eu/ and can now be used without registration. The submission process has been streamlined to encourage spectrum submissions and the new design gives greater emphasis on contributors' original work by highlighting their papers. With numerous new filters and a powerful search function, it is now simple to explore the database of several hundred EELS and XAS spectra. Interactive plots allow spectra to be overlaid, facilitating online comparison. An application-programming interface has been created, allowing external tools and software to easily access the information held within the database. In addition to the database itself, users can post and manage job adverts and read the latest news and events regarding the EELS and XAS communities. In accordance with the ongoing drive toward open access data increasingly demanded by funding bodies, the database will facilitate open access data sharing of EELS and XAS spectra.

  • 49.
    Fahlquist, Henrik
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Kadir, Karim
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Noréus, Dag
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Structural characterization of Sr4Mg4H4[CoH5](3) shows the importance of support from polarizing counter ions to 3d transition metal hydrido complexes2013In: Journal of Alloys and Compounds, ISSN 0925-8388, E-ISSN 1873-4669, Vol. 579, p. 31-33Article in journal (Refereed)
    Abstract [en]

    The structure of the title compound was refined from neutron powder diffraction data in the cubic space group P-43m (215). The unit cell contains one formula unit with 3 structurally equivalent [Co(I)H-5](4)-complexes as well as 4 interstitial hydride (H-) ions. The presence of the larger and less polarizing Sr2+ ions weakens the bond in the complexes and probably also the stability of the structure. Attempts to synthesize the corresponding Ba analogue failed in contrast to using smaller and more polarizing Ca2+ and Yb2+ counterions.

  • 50. Farhadi-Khouzani, Masoud
    et al.
    Schütz, Christina
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Wallenberg Wood Science Center, Sweden.
    Durak, Grażyna M.
    Fornell, Jordina
    Sort, Jordi
    Salazar-Alvarez, German
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Wallenberg Wood Science Center, Sweden.
    Bergström, Lennart
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Wallenberg Wood Science Center, Sweden.
    Gebauer, Denis
    A CaCO3/nanocellulose-based bioinspired nacre-like material2017In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 5, no 31, p. 16128-16133Article in journal (Refereed)
    Abstract [en]

    Nacre continues to be an inspiration for the fabrication of strong and tough materials from renewable and earth-abundant raw materials. Herein, we showed how a nacre-like hybrid material based on nanocellulose (NC) and CaCO3 can be prepared via the sequential infiltration of polymer-stabilised CaCO3 liquid precursors into layers of predeposited NC films. Layer-by-layer assembly of the NC films followed by controlled spreading and infiltration with liquid CaCO3 precursors generated a lamellar material with an architecture and iridescent appearance similar to those of nacre. The wettability of the NC films towards the liquid CaCO3 precursors was controlled by hydroxyl and carboxyl functionalization of the NC fibrils and the addition of magnesium ions. The combination of a high stiffness and plasticity of the nacre-like NC/CaCO3 hybrid materials show that excellent mechanical properties can be obtained employing a fibrillar organic constituent that is relatively hard. The fabrication of a nacrelike hybrid material via an aqueous route of assembly and infiltration processing demonstrates how a sustainable composite material with outstanding properties can be produced using the most abundant biopolymer and biomineral on earth.

123456 1 - 50 of 290
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf