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  • 1. Basnayake, Sajani A.
    et al.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Balkus, Kenneth J., Jr.
    Carbonate-Based Zeolitic Imidazolate Framework for Highly Selective CO2 Capture2015In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 54, no 4, p. 1816-1821Article in journal (Refereed)
    Abstract [en]

    In this study, we report the formation of a new crystal structure, ZIF-CO3-1, which results from the reaction of Zn2+, 2-methylimidazole, and carbonate. ZIF-CO3-1 can be synthesized solvothermally in N,N-dimethylformamide (DMF)/water (H2O) or by utilizing of CO2 gas at various temperatures in DMF/H2O or H2O. This reaction selectively consumes CO2 because CO2 is incorporated in the ZIF as carbonate. CO2 can be quantitatively released by acidifying the ZIF. Powder X-ray diffraction, single-crystal X-ray diffraction, FTIR spectroscopy, scanning electron microscopy, elemental analysis, and thermogravimetric analysis were used to characterize the ZIF structure. ZIF-CO3-1 (chemical formula C9H(10)N4O(3)Zn(2)), crystallizes in the orthorhombic crystal system with noncentrosymmetric space group Pba2.

  • 2.
    Carson, Fabian
    et al.
    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).
    Platero-Prats, Ana E.
    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).
    Yun, Yifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Samain, Louise
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Framework Isomerism in Vanadium Metal-Organic Frameworks: MIL-88B(V) and MIL-101(V)2013In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 13, no 11, p. 5036-5044Article in journal (Refereed)
    Abstract [en]

    Two families of metal organic frameworks (MOFs), MIL-88 and MIL-101 built by trinuclear transition metal (TM) clusters (TM = Cr, Fe, or Sc), have been known for several years, but their syntheses are often reported separately. In fact, these MOFs are polymorphs, or framework isomers: they are assembled from the same metal secondary building units and organic linkers, but the connectivity of these components differs. Here we report for the first time the synthesis of the vanadium MOF MIL-88B(V) and compare its synthesis parameters to those of MIL-47(V) and the recently reported MIL-101(V). The properties of MIL-88B(V) and MIL-101(V) are remarkably different. MIL-88B(V) can breathe and is responsive to different solvents, while MIL-101(V) is rigid and contains mesoporous cages. MIL-101(V) exhibits the highest specific surface area among vanadium MOFs discovered so far. In addition, both MIL-88B(V) and MIL-101(V) transform to MIL-47 at higher temperatures. We have also identified the key synthesis parameters that control the formation of MIL-88B(V), MIL-101(V), and MIL-47: temperature, time, and pH. This relates to the rate of reaction between the metal and linkers, which has been monitored by ex situ X-ray powder diffraction and V K-edge X-ray absorption spectroscopy during MOF synthesis. It is therefore important to fully study the synthesis conditions to improve our understanding of framework isomerism in MOFs.

  • 3.
    Chen, Hong
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). China University of Geosciences, China.
    Ju, Jing
    Meng, Qingpeng
    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).
    Lin, Cong
    Zhou, Zhengyang
    Li, Guobao
    Wang, Weilu
    Gao, Wenliang
    Zeng, Chunmei
    Tang, Chiu
    Lin, Jianhua
    Yang, Tao
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Peking University, China.
    PKU-3: An HCI-Inclusive Aluminoborate for Strecker Reaction Solved by Combining RED and PXRD2015In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 137, no 22, p. 7047-7050Article in journal (Refereed)
    Abstract [en]

    A novel microporous aluminoborate, denoted as PKU-3, was prepared by the boric acid flux method. The structure of PKU-3 was determined by combining the rotation electron diffraction and synchrotron powder X-ray diffraction data with well resolved ordered Cl- ions in the channel. Composition and crystal structure analysis showed that there are both proton and chlorine ions in the channels. Part of these protons and chlorine ions can be washed away by basic solutions to activate the open pores. The washed PKU-3 can be used as an efficient catalyst in the Strecker reaction with yields higher than 90%.

  • 4. 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.

  • 5.
    Cheung, Ocean
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Materials Chemistry.
    Jie, Su
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zoltán, Bacsik
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Jing, Li
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Samain, Louise
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Xiaodong, Zou
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Niklas, Hedin
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    CO2 selective NaMg-CTS-1 and its structural formation from the titanium silicate based molecule sieve NaMg-ETS-4 upon dehydration2014In: Microporous and Mesoporous Materials, ISSN 1387-1811, E-ISSN 1873-3093, Vol. 198, p. 63-73Article in journal (Other academic)
    Abstract [en]

    A range of titanium silicates (ETS-4 and CTS-1) with interesting gas separation properties were studied as CO2 adsorbents. Some of these adsorbents, in particular NaMg-CTS-1, showed the ability to selectively adsorb CO2-over-N2. Partially exchanged NaM-ETS-4 (M = Mg, Ca, Sr and Ba) were synthesised in the Na+ form and ion exchanged with group 2 cations. All but NaBa-ETS-4 transformed into their CTS-1 counterparts, when these partially exchanged Na-ETS-4 were dehydrated. The transformation from ETS-4 to CTS-1 was monitored and studied extensively using diffraction and spectroscopic techniques. Powder X-ray diffraction allowed us to follow the changes of the unit cell parameters occurred at different temperatures. We combined high energy X-ray total scattering (analysed by pair distribution functions – PDF analysis), electron diffraction, infrared, Raman and Nuclear Magnetic Resonance (NMR) spectroscopy to study the transformation of ETS-4 to CTS-1. We understood that under dehydration steps, there was significant disruption to the Ti–O–Ti chain along the b-axis, which occurred concurrently with the distortion of the double 3-rings alongside of these chains. These changes were partly responsible for the contraction of the ETS-4 framework (and successive transformation to CTS-1). The new information allowed us to understand the interesting structures and sorption properties of these adsorbents

  • 6. Feng, Dawei
    et al.
    Liu, Tian-Fu
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Bosch, Mathieu
    Wei, Zhangwen
    Wan, Wei
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Yuan, Daqiang
    Chen, Ying-Pin
    Wang, Xuan
    Wang, Kecheng
    Lian, Xizhen
    Gu, Zhi-Yuan
    Park, Jihye
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zhou, Hong-Cai
    Stable metal-organic frameworks containing single-molecule traps for enzyme encapsulation2015In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 6, p. 5979-Article in journal (Refereed)
    Abstract [en]

    Enzymatic catalytic processes possess great potential in chemical manufacturing, including pharmaceuticals, fuel production and food processing. However, the engineering of enzymes is severely hampered due to their low operational stability and difficulty of reuse. Here, we develop a series of stable metal-organic frameworks with rationally designed ultra-large mesoporous cages as single-molecule traps (SMTs) for enzyme encapsulation. With a high concentration of mesoporous cages as SMTs, PCN-333(Al) encapsulates three enzymes with record-high loadings and recyclability. Immobilized enzymes that most likely undergo single-enzyme encapsulation (SEE) show smaller Km than free enzymes while maintaining comparable catalytic efficiency. Under harsh conditions, the enzyme in SEE exhibits better performance than free enzyme, showing the effectiveness of SEE in preventing enzyme aggregation or denaturation. With extraordinarily large pore size and excellent chemical stability, PCN-333 may be of interest not only for enzyme encapsulation, but also for entrapment of other nanoscaled functional moieties.

  • 7. Feng, Dawei
    et al.
    Wang, Kecheng
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Liu, Tian-Fu
    Park, Jihye
    Wei, Zhangwen
    Bosch, Mathieu
    Yakovenko, Andrey
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Zhou, Hong-Cai
    A Highly Stable Zeotype Mesoporous Zirconium Metal-Organic Framework with Ultralarge Pores2015In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 54, no 1, p. 149-154Article in journal (Refereed)
    Abstract [en]

    Through topological rationalization, a zeotype mesoporous Zr-containing metal-organic framework (MOF), namely PCN-777, has been designed and synthesized. PCN-777 exhibits the largest cage size of 3.8nm and the highest pore volume of 2.8cm(3)g(-1) among reported Zr-MOFs. Moreover, PCN-777 shows excellent stability in aqueous environments, which makes it an ideal candidate as a support to incorporate different functional moieties. Through facile internal surface modification, the interaction between PCN-777 and different guests can be varied to realize efficient immobilization.

  • 8. Grushko, B.
    et al.
    Kapush, D.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Wan, Wei
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Hovmöller, Sven
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Al-rich region of Al-Pt2013In: Journal of Alloys and Compounds, ISSN 0925-8388, E-ISSN 1873-4669, Vol. 580, p. 618-625Article in journal (Refereed)
    Abstract [en]

    The constitution of the Al-rich part of the Al-Pt alloy system is revised. Apart from the previously reported equilibrium Al4Pt, Al21Pt8 and Al2Pt phases, a complex intermetallic was revealed at 7576 at.% Al between 801 and 915 degrees C. Its structure determined by electron diffraction is orthorhombic (Bmmb, a = 1.983, b = 1.636 and c = 1.422 nm).

  • 9.
    Guo, Peng
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Chinese Academy of Sciences, China.
    Afeworki, Mobae
    Cao, Guang
    Yun, Yifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Sun, Junliang
    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).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Synthesis and Structure of a Layered Fluoroaluminophosphate and Its Transformation to a Three-Dimensional Zeotype Framework2018In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 57, no 18, p. 11753-11760Article in journal (Refereed)
    Abstract [en]

    Two-dimensional zeolitic materials have drawn increasing attention because of their structural diversity, high accessible surface areas, and potential as precursors to form novel three-dimensional (3D) structures. Here we report a new layered fluoroaluminophosphate, denoted as EMM-9 (ExxonMobil Material #9), synthesized in the same synthesis system as that for a previously reported 3D framework structure EMM-8 (framework-type code: SFO) using an F- medium and 4-(dimethylamino)pyridine (DMAP) as the organic structure-directing agent. The structure of EMM-9 was solved from rotation electron diffraction data and refined against synchrotron powder X-ray diffraction data. The fluoroaluminophosphate layer of EMM-9 is composed of sti composite building units. The DMAP cations are located between the layers. pi-pi interactions between the DMAP cations and hydrogen bonding between the DMAP cations and layers were identified. The layered EMM-9 structure is closely related to the 3D framework structure of EMM-8 and can be transformed to EMM-8 by calcination.

  • 10.
    Guo, Peng
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Cao, Guang
    Afeworki, Mobae
    Yun, Yifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Sun, Junliang
    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).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Synthesis and Structure Determination of a Layered Zeolitic Fluoroaluminophosphate and its Transformation to a Three-dimensional Zeolite FrameworkManuscript (preprint) (Other academic)
  • 11.
    Guo, Peng
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Liu, Leifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Yun, Yifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Wan, Wei
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Gies, Hermann
    Zhang, Haiyan
    Xiao, Feng-Shou
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Ab initio structure determination of interlayer expanded zeolites by single crystal rotation electron diffraction2014In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 43, no 27, p. 10593-10601Article in journal (Refereed)
    Abstract [en]

    Layered solids often form thin plate-like crystals that are too small to be studied by single-crystal X-ray diffraction. Although powder X-ray diffraction (PXRD) is the conventional method for studying such solids, it has limitations because of peak broadening and peak overlapping. We have recently developed a software-based rotation electron diffraction (RED) method for automated collection and processing of 3D electron diffraction data. Here we demonstrate the ab initio structure determination of two interlayer expanded zeolites, the microporous silicates COE-3 and COE-4 (COE-n stands for International Network of Centers of Excellence-n), from submicron-sized crystals by the RED method. COE-3 and COE-4 are built of ferrierite-type layers pillared by (-O-Si(CH3)(2)-O-) and (-O-Si(OH)(2)-O-) linker groups, respectively. The structures contain 2D intersecting 10-ring channels running parallel to the ferrierite layers. Because both COE-3 and COE-4 are electron-beam sensitive, a combination of RED datasets from 2 to 3 different crystals was needed for the structure solution and subsequent structure refinement. The structures were further refined by Rietveld refinement against the PXRD data. The structure models obtained from RED and PXRD were compared.

  • 12.
    Guo, Peng
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Shin, Jiho
    Greenaway, Alex G.
    Min, Jung Gi
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Choi, Hyun June
    Liu, Leifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Cox, Paul A.
    Hong, Suk Bong
    Wright, Paul A.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    A zeolite family with expanding structural complexity and embedded isoreticular structures2015In: Nature, ISSN 0028-0836, E-ISSN 1476-4687, Vol. 524, p. 74-78Article in journal (Refereed)
    Abstract [en]

    The prediction and synthesis of new crystal structures enable the targeted preparation of materials with desired properties. Among porous solids, this has been achieved for metal-organic frameworks(1-3), but not for the more widely applicable zeolites(4,5), where new materials are usually discovered using exploratory synthesis. Although millions of hypothetical zeolite structures have been proposed(6,7), not enough is known about their synthesis mechanism to allow any given structure to be prepared. Here we present an approach that combines structure solution with structure prediction, and inspires the targeted synthesis of new super-complex zeolites. We used electron diffraction to identify a family of related structures and to discover the structural 'coding' within them. This allowed us to determine the complex, and previously unknown, structure of zeolite ZSM-25 (ref. 8), which has the largest unit-cell volume of all known zeolites (91,554 cubic angstroms) and demonstrates selective CO2 adsorption. By extending our method, we were able to predict other members of a family of increasingly complex, but structurally related, zeolites and to synthesize two more-complex zeolites in the family, PST-20 and PST-25, with much larger cell volumes (166,988 and 275,178 cubic angstroms, respectively) and similar selective adsorption properties. Members of this family have the same symmetry, but an expanding unit cell, and are related by hitherto unrecognized structural principles; we call these family members embedded isoreticular zeolite structures.

  • 13.
    Gustafsson, Mikaela
    et al.
    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).
    Yue, Huijuan
    Yao, Qingxia
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    A Family of Flexible Lanthanide Bipyridinedicarboxylate Metal-Organic Frameworks Showing Reversible Single-Crystal to Single-Crystal Transformations2012In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 12, no 6, p. 3243-3249Article in journal (Refereed)
    Abstract [en]

    A family of flexible lanthanide metal-organic frameworks, [Ln(2)(bpydc)(3)(H2O)(3)]center dot nDMF (denoted as SUMOF-6-Ln; Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er, H(2)bpydc =2,2'-bipyridine-5,5'-dicarboxylic acid), was synthesized and characterized. SUMOF-6-Ln has a monoclinic space group P2(1)/c. The three-dimensional framework contains chains of LnO(n) (n = 7-8) polyhedra connected through the bpydc linkers forming 1D rhombic channels along the c-axis. SUMOF-6-Ln showed reversible breathing phenomenon upon desorption/adsorption of the solvent, with up to 27% changes of the unit cell dimensions and 23% changes of the unit cell volume. Single crystal X-ray diffraction (XRD) revealed that the desolvation and resolvation of SUMOF-6-Ln occurred via single-crystal to single-crystal transformations. The thermal behavior of SUMOF-6-Sm was also examined. SUMOF-6-Eu and SUMOF-6-Tb showed solid-state luminescent properties.

  • 14.
    Huang, Shiliang
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). China Academy of Engineering Physics, China.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Christensen, Kirsten
    Inge, A. Ken
    Liang, Jie
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Peking University, China.
    SU-79: a novel germanate with 3D 10-and 11-ring channels templated by a square-planar nickel complex2014In: Inorganic Chemistry Frontiers, ISSN 2052-1553, Vol. 1, no 3, p. 278-283Article in journal (Refereed)
    Abstract [en]

    An open-framework germanate denoted as SU-79 with the chemical formula [Ge12.5O26(OH)(2)]-[Ni(C3N2H10)(2)](1.1)(NH4)(0.8)(C3N2H12)(0.5)(C3N2H10)(1.5)(H2O)(2) has been synthesized under hydro/solvothermal conditions using [Ni(1,2-pda)(2)](2+) (1,2-pda = 1,2-diaminopropane) and 1,2-pda as templates. Owing to the complicated pseudo-merohedral twinning in the crystals, the rotation electron diffraction (RED) method was used for the unit cell and space group determination. The structure of SU-79 was solved and refined based on synchrotron single crystal X-ray diffraction data. SU-79 exhibits a 3D open germanate framework built with Ge-13 clusters, consisting of a 3D channel system with interconnected 10- and 11-ring channels. Interestingly, helical GeO4 tetrahedral chains with left-handed/right-handed chirality were found in the structure. The [Ni(1,2-pda)(2)](2+) complexes, adopting in a square-planar geometry, show a structure directing role on the SU-79 framework via hydrogen bonds. Comparing with its related structure, SU-67, the formation of the pseudo-merohedric twinning in SU-79 was also discussed.

  • 15.
    Huang, Shiliang
    et al.
    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).
    Christensen, Kirsten
    Liang, Jie
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Synthesis and characterization of two new nickel germanates: SUT-3 and SUT-4Manuscript (preprint) (Other academic)
  • 16.
    Inge, Andrew Kentaro
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Christian-Albrechts-Universität zu Kiel, Germany.
    Köppen, Milan
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Feyand, Mark
    Xu, Hongyi
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    O'Keeffe, Michael
    Stock, Norbert
    Unprecedented Topological Complexity in a Metal-Organic Framework Constructed from Simple Building Units2016In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 138, no 6, p. 1970-1976Article in journal (Refereed)
    Abstract [en]

    A bismuth-based metal-organic framework (MOP), [Bi(BTC)(H2O)]center dot 2H(2)O center dot MeOH denoted CAU-17, was synthesized and found to have an exceptionally complicated structure with helical Bi-O rods cross-linked by 1,3,5-benzenetricarboxylate (BTC3-) ligands. Five crystallographically independent 1D channels including two hexagonal channels, two rectangular channels, and one triangular channel have accessible diameters of 9.6, 9.6, 3.6, 3.6, and 3.4 angstrom, respectively. The structure is further complicated by twinning. Rod-incorporated MOF structures typically have underlying nets with only one unique node and three or four unique edges. In contrast, topological analysis of CAU-17 revealed unprecedented complexity for a MOF structure with 54 unique nodes and 135 edges. The complexity originates from the rod packing and the rods themselves, which are related to aperiodic helices.

  • 17. Li, Pei-Zhou
    et al.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Liang, Jie
    Liu, Jia
    Zhang, Yuanyuan
    Chena, Hongzhong
    Zhao, Yanli
    A highly porous metal-organic framework for large organic molecule capture and chromatographic separation2017In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 53, no 24, p. 3434-3437Article in journal (Refereed)
    Abstract [en]

    A highly porous metal-organic framework (MOF) with large pores was successfully obtained via solvothermal assembly of a ''click''-extended tricarboxylate ligand and Zn(II) ions. The inherent feature of large-molecule accessible pores endows the MOF with a unique property for utilization toward large guest molecules.

  • 18. Liang, Jie
    et al.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Chen, Yanping
    Li, Zhaofei
    Li, Kuo
    Zhang, Hao
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Liao, Fuhui
    Wang, Yingxia
    Lin, Jianhua
    Syntheses, structure solutions, and catalytic performance of two novel layered silicates2015In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 44, no 35, p. 15567-15575Article in journal (Refereed)
    Abstract [en]

    Two novel layered silicates, PKU-13 and PKU-13a, were hydrothermally synthesized by using trimethyl-propylammonium hydroxide as the structure directing agent (SDA). Their structures were solved by using powder X-ray diffraction data in combination with electron diffraction technique and NMR spectroscopy. These two silicates are built from the same r52 layer in different stacking modes: the adjacent r52 layers in PKU-13a have a 0.5b + 0.68c shift compared with those in PKU-13. The difference is due to the SDA cations located between the layers. The SDA cations exist as a monolayer in the structure of PKU-13, and link the adjacent layers by Coulomb actions in combination with strong hydrogen bonds. In PKU-13a, the SDA cations present in the bi-layer expend the distance between layers and destroy the inter-layer hydrogen bonds. PKU-13a can transform to PKU-13 after treatment with acetic acid solution. The co-existence of intra-layer hydrogen bonds in PKU-13 interfere in its condensation to an ordered crystalline microporous framework. Both PKU-13 and PKU-13a exhibit good catalytic activities as base catalysts in the Knoevenagel condensation reaction.

  • 19.
    Liang, Jie
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Peking University, People's Republic of China.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Luo, Xiaodan
    Wang, Yingxia
    Zheng, Haoquan
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Chen, Hong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). China University of Geosciences, People's Republic of China.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Lin, Jianhua
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Peking University, People's Republic of China.
    A Crystalline Mesoporous Germanate with 48-Ring Channels for CO2 Separation2015In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 54, no 25, p. 7290-7294Article in journal (Refereed)
    Abstract [en]

    One of the challenges in materials science has been to prepare crystalline inorganic compounds with mesopores. Although several design strategies have been developed to address the challenge, expansion of pore sizes in inorganic materials is more difficult compared to that for metal-organic frameworks. Herein, we designed a novel mesoporous germanate PKU-17 with 3D 48 x 16 x 16-ring channels by introducing two large building units (Ge-10 and Ge-7 clusters) into the same framework. The key for this design strategy is the selection of 2-propanolamine (MIPA), which serves as the terminal species to promote the crystallization of Ge-7 clusters. Moreover, it is responsible for the coexistence of Ge-10 and Ge-7 clusters. To our knowledge, the discovery of PKU-17 sets a new record in pore sizes among germanates. It is also the first germanate that exhibits a good selectivity toward CO2 over N-2 and CH4.

  • 20.
    Liang, Jie
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Peking University, People's Republic of China.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Wang, Yingxia
    Chen, Yanping
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Liao, Fuhui
    Lin, Jianhua
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Peking University, People's Republic of China.
    A 3D 12-Ring Zeolite with Ordered 4-Ring Vacancies Occupied by (H2O)(2) Dimers2014In: Chemistry - A European Journal, ISSN 0947-6539, E-ISSN 1521-3765, Vol. 20, no 49, p. 16097-16101Article in journal (Refereed)
    Abstract [en]

    A germanate zeolite, PKU-14, with a three- dimensional large-pore channel system was structurally characterized by a combination of high-resolution powder X-ray diffraction, rotation electron diffraction, NMR, and IR spectroscopy. Ordered Ge4O4 vacancies inside the [4(6).6(12)] cages has been found in PKU-14, in which a unique (H2O)(2) dimer was located at the vacancies and played a structure-directing role. It is the first time that water clusters are found to be templates for ordered framework vacancies.

  • 21. Liang, Jie
    et al.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Wang, Yingxia
    Lin, Zhongjun
    Mu, Weijun
    Zheng, Haoquan
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Ruqiang
    Liao, Fuhui
    Lin, Jianhua
    CHA-type zeolites with high boron content: Synthesis, structure and selective adsorption properties2014In: Microporous and Mesoporous Materials, ISSN 1387-1811, E-ISSN 1873-3093, Vol. 194, p. 97-105Article in journal (Refereed)
    Abstract [en]

    Borosilicate zeolites with CHA-type framework are synthesized hydrothermally by using N,N,N-trimethylcyclohexylammonium hydroxide as structure directing agent. The use of this cation induces an increase of boron content in the CHA-type zeolites, and the Si/B ratios of the as-synthesized samples is in the range of 11.8-6.9. Rietveld refinements of the calcinated samples reveal a contraction of unit cells with the increase of boron content, and the 8-ring opening window of cha cavity becomes narrower. B-11 MAS NMR shows that all the boron atoms are incorporated into the framework as tetrahedral BO4 units in the as-synthesized samples. The thermal stability of these CHA-type borosilicates decreases with the increase of boron content, and the framework can retain up to 800 degrees C. These borosilicates, with the BET surfaces of 583-632 m(2)/g, show a high adsorption capacity for H-2 at 77 K, 900 mmHg and a preferential adsorption for CO2 at 273 K. This selective adsorption property enables CHA-type borosilicates to be potential materials as CO2 adsorbent.

  • 22.
    Liang, Jie
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Peking University, China.
    Xia, Wei
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Peking University, China.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Dou, Maofeng
    Zou, Ruqiang
    Liao, Fuhui
    Wang, Yingxia
    Lin, Jianhua
    A multi-dimensional quasi-zeolite with 12 x 10 x 7-ring channels demonstrates high thermal stability and good gas adsorption selectivity2016In: Chemical Science, ISSN 2041-6520, E-ISSN 2041-6539, Vol. 7, no 5, p. 3025-3030Article in journal (Refereed)
    Abstract [en]

    A novel quasi-zeolite PKU-15, with a rare 3-dimensional structure containing interconnected large (12-ring), medium (10-ring) and small (7-ring) multi-pore channels, was hydrothermally synthesised and characterised. A unique tri-bridging O2- anion is found to be encapsulated in the cage-like (Ge,Si)(12)O-31 building unit and energetically stabilises the PKU-15 framework. The removal of this oxygen atom would convert PKU-15 into a hypothetical zeolite PKU-15H. Thus, PKU-15 can be considered as a unique 'quasi-zeolite', which bridges porous germanates and zeolites. Owing to the absence of terminal Ge-OH groups in its structure, PKU-15 shows a remarkably high thermal stability of up to 600 degrees C. PKU-15 is also the first microporous germanate that exhibits permanent porosity, with a BET area of 428 m(2) g(-1) and a good adsorption affinity toward CO2.

  • 23. Lv, Xiu-Liang
    et al.
    Wang, Kecheng
    Wang, Bin
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Xie, Yabo
    Li, Jian-Rong
    Zhou, Hong-Cai
    A Base-Resistant Metalloporphyrin Metal-Organic Framework for C-H Bond Halogenation2017In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 139, no 1, p. 211-217Article in journal (Refereed)
    Abstract [en]

    A base-resistant porphyrin metal organic framework (MOF), namely PCN-602 has been constructed with 12-connected [Ni-8(OH)(4)(H2O)(2)Pz(12)] (Pz = pyrazolate) cluster and a newly designed pyrazolate-based porphyrin ligand, 5,10,15,20-tetralds (4- (pyrazolate-4-yl)phenyl)porphyrin under the guidance of the reticular synthesis strategy. Besides its robustness in hydroxide solution, PCN-602 also shows excellent stability in aqueous solutions of F-, CO32-, and PO43- ions. Interestingly, the Mn3+-porph-yrinic PCN-602, as a recyclable MOF catalyst, presents high catalytic activity for the C-H bond halogenation reaction in a basic system, significantly outperforming its homogeneous counterpart. For the first time, a porphyrinic MOF was thus used as an efficient catalyst in a basic solution with coordinating anions, to the best of our knowledge.

  • 24.
    Pascanu, Vlad
    et al.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Bermejo Gómez, Antonio
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Ayats, Carles
    Platero-Prats, Ana E.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Carson, Fabian
    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).
    Yao, Qingxia
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Pericas, Miquel A.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Martín-Matute, Belén
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Double-Supported Silica-Metal-Organic Framework Palladium Nanocatalyst for the Aerobic Oxidation of Alcohols under Batch and Continuous Flow Regimes2015In: ACS Catalysis, ISSN 2155-5435, E-ISSN 2155-5435, Vol. 5, no 2, p. 472-479Article in journal (Refereed)
    Abstract [en]

    Stable and easily synthesized metal-organic framework MIL-88B-NH2 represents an attractive support for catalysts employed in oxidation reactions, which are typically performed under relatively harsh conditions. However, MIL-88B-NH2, the thermodynamic polymorph of the more popular MIL-101-NH2, has been rarely employed in catalytic applications because of a difficult impregnation process caused by the flexible nature of the framework. We report herein a new catalyst denoted Pd@MIL-88B-NH2 (8 wt % Pd), the first example of metallic nanoparticles successfully impregnated in the pores of MIL-88B-NH2. Furthermore, by enclosing the MOF crystals in a tailored protective coating of SiO2 nanoparticles, an even more enduring material was developed and applied to the aerobic oxidation of benzylic alcohols. This doubly supported catalyst Pd@MIL-88B-NH2@nano-SiO2 displayed high activity and excellent performance in terms of endurance and leaching control. Under batch conditions, a very convenient and efficient recycling protocol is illustrated, using a teabag approach. Under continuous flow, the catalyst was capable of withstanding 7 days of continuous operation at 110 degrees C without deactivation. During this time, no leaching of metallic species was observed, and the material maintained its structural integrity.

  • 25.
    Pascanu, Vlad
    et al.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Carson, Fabian
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Vico Solano, Marta
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Johansson, Magnus J.
    Martín-Matute, Belén
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Selective Heterogeneous C−H Activation/Halogenation Reactions Catalyzed by Pd@MOF Nanocomposites2016In: Chemistry - A European Journal, ISSN 0947-6539, E-ISSN 1521-3765, Vol. 22, no 11, p. 3729-3737Article in journal (Refereed)
    Abstract [en]

    A directed heterogeneous C−H activation/halogenation reaction catalyzed by readily synthesized Pd@MOF nanocatalysts was developed. The heterogeneous Pd catalysts used were a novel and environmentally benign Fe-based metal–organic framework (MOF) (Pd@MIL-88B-NH2(Fe)) and the previously developed Pd@MIL-101-NH2(Cr). Very high conversions and selectivities were achieved under very mild reaction conditions and in short reaction times. A wide variety of directing groups, halogen sources, and substitution patterns were well tolerated, and valuable polyhalogenated compounds were synthesized in a controlled manner. The synthesis of the Pd-functionalized Fe-based MOF and the recyclability of the two catalysts are also presented.

  • 26.
    Su, Jie
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Kapaca, Elina
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Liu, Leifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Georgieva, Veselina
    Wan, Wei
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Valtchev, Valentin
    Hovmöller, Sven
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Structure analysis of zeolites by rotation electron diffraction (RED)2014In: Microporous and Mesoporous Materials, ISSN 1387-1811, E-ISSN 1873-3093, Vol. 189, p. 115-125Article in journal (Refereed)
    Abstract [en]

    Single crystal X-ray diffraction and powder X-ray diffraction (PXRD) are powerful methods for determination of unknown crystal structures including zeolites. However, these techniques have some limitations. For instance, single crystal X-ray diffraction requires large enough crystals which are often difficult to synthesize. For powder X-ray diffraction, peak indexing and intensity extraction become difficult if there exist peak broadening caused by small crystal sizes and peak overlap due to large unit cell and high symmetry. This becomes even more complicated for samples that contain more than one phase. We developed a new rotation electron diffraction (RED) method that can overcome these limitations. Almost complete three-dimensional electron diffraction datasets can be collected from micron- or nano-sized single crystals in a transmission electron microscope by combining electron beam tilt and goniometer tilt. Here, we demonstrate the power and limitations of the RED method for ab initio structure determination of four sub-micron sized zeolites, including a calcined silicalite-1, an EUO-type germanosilicate, an FER-type aluminogermanosilicate and an AST-type aluminogermanosilicate. The latter three zeolites were found in multiphasic samples. We show how the tilt range, tilt step and resolution affect the unit cell determination, structure solution and structure refinement. The EUO-, FER- and AST-type zeolites were found in two multiphasic samples in the Al-Ge-Si system, which were also characterized by PXRD and N-2 sorption.

  • 27.
    Su, Jie
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Wang, Yingxia
    Lin, Jianhua
    Liang, Jie
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    A silicogermanate with 20 ring channels directed by a simple quaternary ammonium cation2013In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 42, no 5, p. 1360-1363Article in journal (Refereed)
    Abstract [en]

    A silicogermanate, PKU-12, with the -CLO type of zeolite framework was hydrothermally synthesized under fluoride media using diisopropylethylmethylammonium as a structure directing agent. The formation of the silicogermanate zeolite with 20-ring channels has not only extended the -CLO family from phosphates into silicogermanates, but also demonstrated its structural diversity.

  • 28.
    Wan, Wei
    et al.
    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).
    Zou, Xiaodong D.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Willhammar, Tom
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Transmission electron microscopy as an important tool for characterization of zeolite structures2018In: Inorganic chemistry frontiers, ISSN 2052-1553, Vol. 5, no 11, p. 2836-2855Article in journal (Refereed)
    Abstract [en]

    Transmission electron microscopy (TEM) is an important tool for structure characterization of zeolite materials. Structural information can be obtained by different TEM techniques, for example electron diffraction (ED), high-resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy (STEM) and electron tomography (ET), each with its own advantages and limitations. These techniques are briefly introduced. Examples are given to show how these techniques can be used to solve various structure-related problems in zeolites. With this review we will describe the basic principles of transmission electron microscopy techniques for structural characterization, including recent methodological advancements. Advantages as well as challenges of using TEM for structural characterization will be described in relation to other methods. Examples of structural characterization of zeolites will be given for each of the methods.

  • 29.
    Wan, Wei
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Sun, Junliang
    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).
    Hovmöller, Sven
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Three-dimensional rotation electron diffraction: software RED for automated data collection and data processing2013In: Journal of applied crystallography, ISSN 0021-8898, E-ISSN 1600-5767, Vol. 46, p. 1863-1873Article in journal (Refereed)
    Abstract [en]

    Implementation of a computer program package for automated collection and processing of rotation electron diffraction (RED) data is described. The software package contains two computer programs: RED data collection and RED data processing. The RED data collection program controls the transmission electron microscope and the camera. Electron beam tilts at a fine step (0.05-0.20 degrees) are combined with goniometer tilts at a coarse step (2.0-3.0 degrees) around a common tilt axis, which allows a fine relative tilt to be achieved between the electron beam and the crystal in a large tilt range. An electron diffraction (ED) frame is collected at each combination of beam tilt and goniometer tilt. The RED data processing program processes three-dimensional ED data generated by the RED data collection program or by other approaches. It includes shift correction of the ED frames, peak hunting for diffraction spots in individual ED frames and identification of these diffraction spots as reflections in three dimensions. Unit-cell parameters are determined from the positions of reflections in three-dimensional reciprocal space. All reflections are indexed, and finally a list with hkl indices and intensities is output. The data processing program also includes a visualizer to view and analyse three-dimensional reciprocal lattices reconstructed from the ED frames. Details of the implementation are described. Data collection and data processing with the software RED are demonstrated using a calcined zeolite sample, silicalite-1. The structure of the calcined silicalite-1, with 72 unique atoms, could be solved from the RED data by routine direct methods.

  • 30. Wang, Hui
    et al.
    Yang, Chengxu
    Lu, Jun
    Wu, Meimei
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Li, Kuo
    Zhang, Junrong
    Li, Guobao
    Jin, Tounan
    Kamiyama, Takashi
    Liao, Fuhui
    Lin, Jianhua
    Wu, Yicheng
    On the Structure of alpha-BiFeO32013In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 52, no 5, p. 2388-2392Article in journal (Refereed)
    Abstract [en]

    Polycrystalline and monocrystalline alpha-BiFeO3 crystals have been synthesized by solid state reaction and flux growth method, respectively. X-ray, neutron, and electron diffraction techniques are used to study the crystallographic and magnetic structure of alpha-BiFeO3. The present data show that alpha-BiFeO3 crystallizes in space group PI with a = 0.563 17(1) nm, b = 0.563 84(1) nm, c = 0.563 70(1) nm, alpha = 59.33(1)degrees, beta = 59.35(1)degrees, gamma = 59.38(1)degrees, and the magnetic structure of alpha-BiFeO3 can be described by space group PI with magnetic modulation vector in reciprocal space q = 0.0045a* - 0.0045b*, which is the magnetic structure model proposed by I. Sosnowska(1) applied to the new PI crystal symmetry of alpha-BiFeO3

  • 31. Wang, Kecheng
    et al.
    Feng, Dawei
    Liu, Tian-Fu
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Yuan, Shuai
    Chen, Ying-Pin
    Bosch, Mathieu
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zhou, Hong-Cai
    A Series of Highly Stable Mesoporous Metalloporphyrin Fe-MOFs2014In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 136, no 40, p. 13983-13986Article in journal (Refereed)
    Abstract [en]

    A series of mesoporous metalloporphyrin Fe-MOFs, namely PCN-600(M) (M = Mn, Fe, Co, Ni, Cu), have been synthesized using the preassembled [Fe3O(OOCCH3)(6)] building block. PCN-600 exhibits a one-dimensional channel as large as 3.1 nm and the highest experimental pore volume of 1.80 cm(3) g(-1) among all the reported porphyrinic MOFs. It also shows very high stability in aqueous solutions with pH values ranging from 2-11 and is to our knowledge the only mesoporous porphyrinic MOF stable under basic aqueous conditions. PCN-600(Fe) has been demonstrated as an effective peroxidase mimic to catalyze the co-oxidation reaction.

  • 32. Wang, Yilin
    et al.
    Wang, Yunchen
    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).
    Song, Xiaowei
    Wan, Wei
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Yu, Jihong
    Interrupted silicogermanate with 10-ring channels: synthesis and structure determination by combining rotation electron diffraction and powder X-ray diffraction2017In: Inorganic Chemistry Frontiers, ISSN 2052-1553, Vol. 4, no 10, p. 1654-1659Article in journal (Refereed)
    Abstract [en]

    Silicogermanate (JU110) with an interrupted open-framework has been synthesized by using a hydrothermal method using 1,1′-(1,4-phenylenebis(methylene))bis(1-methylpyrrolidin-1-ium) hydroxide as an organic structure-directing agent (OSDA). Silicon and fluoride anions were introduced to the concentrated-gel synthesis system, and different synthetic parameters influencing the synthesis were discussed. The structure of JU110 was characterised by using rotation electron diffraction (RED) and high-resolution powder X-ray diffraction. JU110 crystallizes in the space group Fm2m (No. 42) with a = 13.9117(2) Å, b = 18.2980(3) Å and c = 32.7800(6) Å. The structure is constructed by the sti layers found in the STI framework that are pillared by D4R/Ge7 units to form a large cavity, showing 10-ring openings along [100] and 9-ring openings along [110]. Thermal stability studies showed that the framework was maintained with the loss of water molecules, but collapsed with the removal of charge-compensating cations.

  • 33.
    Willhammar, Tom
    et al.
    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).
    Yun, Yifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Afeworki, Mobae
    Weston, Simon C.
    Vroman, Hilda B.
    Lonergan, William W.
    Strohmaier, Karl G.
    High-Throughput Synthesis and Structure of Zeolite ZSM-43 with Two-Directional 8-Ring Channels2017In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 56, no 15, p. 8856-8864Article in journal (Refereed)
    Abstract [en]

    The aluminosilicate zeolite ZSM-43 (where ZSM = Zeolite Socony Mobil) was first synthesized more than 3 decades ago, but its chemical structure remained unsolved because of its poor crystallinity and small crystal size. Here we present optimization of the ZSM-43 synthesis using a high-throughput approach and subsequent structure determination by the combination of electron crystallographic methods and powder X-ray diffraction. The synthesis required the use of a combination of both inorganic (Cs+ and K+) and organic (choline) structure-directing agents. High-throughput synthesis enabled a screening of the synthesis conditions, which made it possible to optimize the synthesis, despite its complexity, in order to obtain a material with significantly improved crystallinity. When both rotation electron diffraction and high resolution transmission electron microscopy imaging techniques are applied, the structure of ZSM-43 could be determined. The structure of ZSM-43 is a new zeolite framework type and possesses a unique two-dimensional channel system limited by 8-ring channels ZSM-43 is stable upon calcination, and sorption measurements show that the material is suitable for adsorption of carbon dioxide as well as methane.

  • 34.
    Yao, Qingxia
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Bermejo Gómez, Antonio
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Pascanu, Vlad
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Yun, Yifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zheng, Haoquan
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Chen, Hong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Liu, Leifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Abdelhamid, Hani Nasser
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Martin-Matute, Belén
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Series of Highly Stable Isoreticular Lanthanide Metal-Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties2015In: Chemistry of Materials, ISSN 0897-4756, E-ISSN 1520-5002, Vol. 27, no 15, p. 5332-5339Article in journal (Refereed)
    Abstract [en]

    A series of highly porous isoreticular lanthanide-based metal organic frameworks (LnMOFs) denoted as SUMOE-7I to SUMOE-7IV (SU = Stockholm University; Ln = La, Ce, Pr, Nd, Sm, Eu, and Gd) have been synthesized using tritopic carboxylates as the organic linkers. The SUMOF-7 materials display one-dimensional pseudohexagonal channels with the pore diameter gradually enlarged from 8.4 to 23.9 angstrom, as a result of increasing sizes of the organic linkers. The structures have been solved by single crystal X-ray diffraction or rotation electron diffraction (RED) combined with powder X-ray diffraction (PXRD). The SUMOF-7 materials exhibit robust architectures with permanent porosity. More importantly, they exhibit exceptionally high thermal and chemical stability. We show that, by inclusion of organic dye molecules, the luminescence properties of the MOFs can be elaborated and modulated, leading to promising applications in sensing and optics.

  • 35.
    Yao, Qingxia
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Bermejo Gómez, Antonio
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Pascanu, Vlad
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Yun, Yifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zheng, Haoquan
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Chen, Hong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Liu, Leifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Martín-Matute, Belén
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Highly porous isoreticular lanthanide metal-organic frameworksManuscript (preprint) (Other academic)
    Abstract [en]

    As an emerging type of porous materials, metal–organic frameworks (MOFs) have the advantages over conventional inorganic porous materials in that their structures and functions are systematically and predictably designable. Isoreticular expansion is an efficient way for systematic design and control of pore size and shape for MOFs. By using our proposed strategy, a series of highly porous isoreticular lanthanide-based metal-organic frameworks with systematic pore apertures has been obtained, which afford an isoreticular series of MIL-103 structures (termed SUMOF-7I to IV) with pore apertures ranging from 7.2 Å to 23 Å. These materials demonstrated exhibit robust architectures with permanent porosity, and exceptional thermal stability and chemical stability in various solvents. The combination of luminescence property and significant porosity of these MOFs enable them as a potential platform for multifunctional purpose.

  • 36.
    Yao, Qingxia
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Li, Kuo
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Peskov, Maxim V.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    A series of isostructural mesoporous metal-organic frameworks obtained by ion-exchange induced single-crystal to single-crystal transformation2012In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 41, no 14, p. 3953-3955Article in journal (Refereed)
    Abstract [en]

    A series of metal-organic frameworks representing a non-interpenetrated framework analogue of MOF-14 have been synthesized by using two different linkers, 4,4',4 ''-benzene-1,3,5-triyl-benzoic acid (H3BTB) and 4,4'-bipyridine (Bpy). Interestingly, the transition metal ions in the paddle-wheel metal clusters could be exchanged by other transition metal ions via a direct single-crystal to single-crystal transformation. This post-synthesis route can be used for synthesis of isomorphous metal-organic frameworks that cannot be obtained by direct synthesis.

  • 37.
    Yun, Yifeng
    et al.
    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).
    Rabbani, Faiz
    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).
    Xu, Hongyi
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Hovmöller, Sven
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Johnsson, Mats
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Phase identification and structure determination from multiphasic crystalline powder samples by rotation electron diffraction2014In: Journal of applied crystallography, ISSN 0021-8898, E-ISSN 1600-5767, Vol. 47, p. 2048-2054Article in journal (Refereed)
    Abstract [en]

    Phase identification and structure characterization are important in synthetic and materials science. It is difficult to characterize the individual phases from multiphase crystalline powder samples, especially if some of the phases are unknown. This problem can be solved by combining rotation electron diffraction (RED) and powder X-ray diffraction (PXRD). Four phases were identified on the same transmission electron microscopy grid from a multiphase sample in the Ni-Se-O-Cl system, and their structures were solved from the RED data. Phase 1 (NiSeO3) was found in the Inorganic Crystal Structure Database using the information from RED. Phase 2 (Ni3Se4O10Cl2) is an unknown compound, but it is isostructural to Co3Se4O10Cl2, which was recently solved by single-crystal X-ray diffraction. Phase 3 (Ni5Se6O16Cl4H2) and Phase 4 (Ni5Se4O12Cl2) are new compounds. The fact that there are at least four different compounds in the as-synthesized material explains why the phase identification and structure determination could not be done by PXRD alone. The RED method makes phase identification from such multiphase powder samples much easier than would be the case using powder X-ray diffraction. The RED method also makes structure determination of submicrometre-sized crystals from multiphase samples possible.

  • 38. Zhang, Qiang
    et al.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Feng, Dawei
    Wei, Zhangwen
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zhou, Hong-Cai
    Piezofluorochromic Metal-Organic Framework: A Microscissor Lift2015In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 137, no 32, p. 10064-10067Article in journal (Refereed)
    Abstract [en]

    We have successfully constructed a metal-organic framework, denoted as PCN-128W, starting from chromophoric linker and zirconium salt. PCN-128W exhibits interesting piezofluorochromic behavior, the color reversibly changes from white to yellow and so does the emission maximum from 470 to 538 nm. The stepwise fluorescence change was monitored by fluorospectroscopy which demonstrated gradual shift of the emission maximum when sequential compression was exerted. In order to gain deep insights into the piezofluorochromic mechanism, both the white and yellow phases are structurally characterized.

  • 39. Zhang, Yue-Biao
    et al.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Furukawa, Hiroyasu
    Yun, Yifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Gandara, Felipe
    Duong, Adam
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Yaghi, Omar M.
    Single-Crystal Structure of a Covalent Organic Framework2013In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 135, no 44, p. 16336-16339Article in journal (Refereed)
    Abstract [en]

    The crystal structure of a new covalent organic framework, termed COF-320, is determined by single-crystal 3D electron diffraction using the rotation electron diffraction (RED) method for data collection. The COF crystals are prepared by an imine condensation of tetra-(4-anilyl)methane and 4,4'-biphenyldialdehyde in 1,4-dioxane at 120 degrees C to produce a highly porous 9-fold interwoven diamond net. COF-320 exhibits permanent porosity with a Langmuir surface area of 2400 m(2)/g and a methane total uptake of 15.0 wt % (176 cm(3)/cm(3)) at 25 degrees C and 80 bar. The successful determination of the structure of COF-320 directly from single-crystal samples is an important advance in the development of COF chemistry.

  • 40. Zhao, Yunlong
    et al.
    Han, Chunhua
    Yang, Junwei
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Xu, Xiaoming
    Li, Shuo
    Xu, Lin
    Fang, Ruopian
    Jiang, Hong
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Song, Bo
    Mai, Liqiang
    Zhang, Qingjie
    Stable Alkali Metal Ion Intercalation Compounds as Optimized Metal Oxide Nanowire Cathodes for Lithium Batteries2015In: Nano letters (Print), ISSN 1530-6984, E-ISSN 1530-6992, Vol. 15, no 3, p. 2180-2185Article in journal (Refereed)
    Abstract [en]

    Intercalation of ions in electrode materials has been explored to improve the rate capability in lithium batteries and supercapacitors, due to the enhanced diffusion of Li+ or electrolyte cations. Here, we describe a synergistic effect between crystal structure and intercalated ion by experimental characterization and ab initio calculations, based on more than 20 nanomaterials: five typical cathode materials together with their alkali metal ion intercalation compounds A-M-O (A = Li, Na, K, Rb; M = V, Mo, Co, Mn, Fe-P). Our focus on nanowires is motivated by general enhancements afforded by nanoscale structures that better sustain lattice distortions associated with charge/discharge cycles. We show that preintercalation of alkali metal ions in V-O and Mo-O yields substantial improvement in the Li ion charge/discharge cycling and rate, compared to A-Co-O, A-Mn-O, and A-Fe-P-O. Diffraction and modeling studies reveal that preintercalation with K and Rb ions yields a more stable interlayer expansion, which prevents destructive collapse of layers and allow Li ions to diffuse more freely. This study demonstrates that appropriate alkali metal ion intercalation in admissible structure can overcome the limitation of cyclability as well as rate capability of cathode materials, besides, the preintercalation strategy provides an effective method to enlarge diffusion channel at the technical level, and more generally, it suggests that the optimized design of stable intercalation compounds could lead to substantial improvements for applications in energy storage.

  • 41.
    Zheng, Haoquan
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Tai, Cheuk-Wai
    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).
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Gao, Feifei
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Ultra-small mesoporous silica nanoparticles as efficient carriers for pH responsive releases of anti-cancer drugs2015In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 44, no 46, p. 20186-20192Article in journal (Refereed)
    Abstract [en]

    Mesoporous silica has emerged as one of the most promising carriers for drug delivery systems. However, the synthesis of ultra-small mesoporous silica nanoparticles (UMSNs) and their application in drug delivery remains a significant challenge. Here, spherical UMSNs (similar to 25 nm) have been synthesized and tested as drug carriers. Anti-cancer drugs mitoxantrone (MX), doxorubicin (DOX) and methotrexate (MTX) have been utilized as model drugs. The pH-responsive drug delivery system can be constructed based on electrostatic interactions between carriers and drug molecules. The UMSNs could store drugs under physiological conditions and release them under acidic conditions. Different pH-responsive release profiles were obtained in phosphate buffer solutions (PBSs) at the designed pH values (from 4.0 to 7.4). MX and DOX can be used in the pH-responsive delivery system, while MTX cannot be used. Furthermore, we found that the physiological stabilities of these drug molecules in UMSNs are in a decreasing order MX > DOX > MTX, which follows the order of their isoelectric point (pI) values.

  • 42.
    Zou, Xiaodong
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Yao, Qingxia
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Bermejo Gómez, Antonio
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Su, Jie
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Pascanu, Vlad
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Yifeng, Yun
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zheng, Haoquan
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Chen, Hong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Liu, Leifeng
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Abdelhamid, Hani N.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Martín-Matute, Belén
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    A series of highly stable isoreticular lanthanide metal-organic frameworks with tunable luminescence properties solved by rotation electron diffraction and X-ray diffraction2016In: Acta Crystallographica Section A: Foundations of Crystallography, ISSN 0108-7673, E-ISSN 1600-5724, Vol. A72, p. 136-136Article in journal (Refereed)
1 - 42 of 42
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