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  • 51.
    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.

  • 52.
    Guo, Peng
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Strohmaier, Karl
    Vroman, Hilda
    Afeworki, Mobae
    Ravikovitch, Peter I.
    Paur, Charanjit S.
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Burton, Allen
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Accurate structure determination of a borosilicate zeolite EMM-26 with two-dimensional 10 x 10 ring channels using rotation electron diffraction2016In: Inorganic Chemistry Frontiers, ISSN 2052-1553, Vol. 3, no 11, p. 1444-1448Article in journal (Refereed)
    Abstract [en]

    A new borosilicate zeolite vertical bar N2H36C16 vertical bar[Si22B2O48].H2O, denoted as EMM-26, has been synthesized by employing a linear dicationic organic structure directing agent 1,6-bis(N-methylpyrrolidinium) hexane (OSDA). EMM-26 has a novel zeolite framework and contains two-dimensional (2D) intersecting 10 x 10-ring channels. Its structure was solved from sub-micrometer sized crystals using rotation electron diffraction (RED) and refined against both the RED and synchrotron powder diffraction data. We have shown for the first time that RED data alone can be used to accurately determine zeolite structures. The OSDAs can be removed from the framework generating permanent pores. EMM-26 shows good CO2 uptake and CO2/CH4 selectivity.

  • 53.
    Guo, Peng
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Strohmaier, Karl
    Vroman, Hilda
    Afeworki, Mobae
    Ravikovitch, Peter I.
    Paur, Charanjit S.
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Burton, Allen
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    EMM-26: a two-dimensional medium pore borosilicate zeolitewith 10x10 ring channels solved by rotation electron diffractionManuscript (preprint) (Other academic)
  • 54.
    Guo, Peng
    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).
    McCusker, Lynne
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Laboratory of Crystallography, ETH Zurich, Switzerland.
    Baerlocher, Christian
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    On the relationship between unit cells and channel systems in high silica zeolites with the butterfly projection2015In: Zeitschrift für Kristallographie - Crystalline Materials, ISSN 2194-4946, Vol. 230, no 5, p. 301-309Article in journal (Refereed)
    Abstract [en]

    Zeolites are crystalline aluminosilicate framework materials with corner sharing TO 4 (T = Al, Si) tetrahedra forming well-defined pores and channels. Many zeolites are built from similar building units (i.e., isolated units, chains or layers), which are connected in different ways to form a variety of topologies. We have identified ten zeolite frameworks that share the same two-dimensional butterfly net containing 5-, 6- and 10-rings: (MRE)-M-star, FER, MEL, SZR, MFS, MFI, TUN, IMF, BOG and TON. Different orientations of the TO4 tetrahedra within the layer lead to different connectivities between neighboring layers. Some layers are corrugated and some are flat, resulting in different channel systems parallel to the layer. We found some interesting relationships between the unit cell parameters and this channel system that allow the size of the channels and their directions to be deduced from the unit cell dimensions. This may facilitate the prediction of new members of this zeolite family. In addition, other zeolites containing the butterfly layers are also discussed.

  • 55.
    Guo, Peng
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Dalian Institute of Chemical Physics, Chinese Academy of Sciences, P. R. China.
    Yan, Nana
    Wang, Lei
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Database Mining of Zeolite Structures2017In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 17, no 12, p. 6821-6835Article in journal (Refereed)
    Abstract [en]

    Zeolites are widely used in industrial applications such as ion exchange, gas separation and adsorption, and organic catalysis. In particular, in petroleum refining and petrochemical productions, zeolites are catalysts of utmost importance. In order to classify the known zeolites and correlate the structures with their unique properties, an online Database of Zeolite Structures was established in 1996 and continuously developed by Baerlocher and McCusker at ETH-Zurich. The database contains a lot of useful structural information such as unit cell dimensions, space group, atomic coordinates of tetrahedra (T) atoms, secondary building units (SBUs), composite building units (CBUs), natural tilings, simulated powder X-ray diffraction (PXRD), etc. It has served the zeolite community for more than 20 years and has made great contributions to the development of zeolites and zeolite-related fields. In this article, we take a further step to mine the intrinsic structural information on zeolites including characteristic unit cell dimensions, butterfly layers, zeolites containing the same building layers, ABC-6 zeolite family, and recently discovered embedded isoreticular RHO family. The database mining of zeolite structures will shed light not only on structural correlations of related existing zeolites but also the structure determination and the further prediction of novel zeolite structures based on the existing ones, which will facilitate the target synthesis of energetically feasible hypothetical zeolite structures.

  • 56.
    Gustafson, Karl P. J.
    et al.
    Stockholm University, Faculty of Science, Department of Organic Chemistry. Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Görbe, Tamás
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    de Gonzalo-Calvo, Gonzalo
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Yuan, Ning
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Swedish University of Agricultural Sciences, Sweden.
    Schreiber, Cynthia L.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Shchukarev, Andrey
    Tai, Cheuk-Wai
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Persson, Ingmar
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Bäckvall, Jan-E.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Chemoenzymatic Dynamic Kinetic Resolution of Primary Benzylic Amines using Pd-0-CalB CLEA as a Biohybrid Catalyst2019In: Chemistry - A European Journal, ISSN 0947-6539, E-ISSN 1521-3765, Vol. 25, no 39, p. 9174-9179Article in journal (Refereed)
    Abstract [en]

    Herein, we report on the use a biohybrid catalyst consisting of palladium nanoparticles immobilized on cross-linked enzyme aggregates of lipase B of Candida antarctica (CalB CLEA) for the dynamic kinetic resolution (DKR) of benzylic amines. A set of amines were demonstrated to undergo an efficient DKR and the recyclability of the catalysts was studied. Extensive efforts to further elucidate the structure of the catalyst are presented.

  • 57.
    Gustafsson, Mikaela
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Bartoszewicz, Agnieszka
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Martín-Matute, Belén
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Grins, Jekabs
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zhao, Tony
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Li, Zhongyue
    Zhu, Guangshan
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    A family of highly stable lanthanide metal-organic frameworks: structural evolution and catalytic activity2010In: Chemistry of Materials, ISSN 0897-4756, E-ISSN 1520-5002, Vol. 22, no 11, p. 3316-3322Article in journal (Refereed)
    Abstract [en]

    A family of homeotypic porous lanthanide metal−organic frameworks (MOFs), [Ln(btc)(H2O)]·guest (Nd (1), Sm (2), Eu (3), Gd (4), Tb (5), Ho (6), Er (7), and Yb (8); guest: DMF or H2O) was synthesized. The structures of the as-synthesized compounds are tetragonal and contain 1D channels with accessible lanthanide ions. In situ single crystal X-ray diffraction shows that 1 undergoes a single-crystal to polycrystalline to single-crystal transformation from room temperature to 180 °C. During the release of DMF and water molecules from the channels by evacuation and subsequent heating, the structures of 1 and 7 transformed from tetragonal to monoclinic, and then to tetragonal, while the structure of 8 remained tetragonal. The transformation between the monoclinic and the low temperature tetragonal phases is reversible. The Ln(btc) MOFs are stable to at least 480 °C and are among the most thermally stable MOFs. The Ln(btc) MOFs act as efficient Lewis acid catalysts for the cyanosilylation of aldehydes yielding cyanohydrins in high yields within short reaction times. 1 also catalyzes the cyanosilylation of less reactive substrates, such as ketones at room temperature. The Ln(btc) MOFs could be recycled and reused without loss of their crystallinity and activity.

  • 58.
    Gustafsson, Mikaela
    et al.
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Li, Zhongyue
    Zhu, Guangshan
    Qiu, Shilun
    Grins, Jekabs
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    A porous chiral lanthanide metal-organic framework with high thermal stability2008In: Zeolites and related materials: Trends, targets and challenges: Proceedings of the 4th International FEZA Conference, Vol. 174, Part A / [ed] Antoine Gédéon, Pascale Massiani and Florence Babonneau, Amsterdam: Elsevier, 2008, p. 451-454Conference paper (Refereed)
    Abstract [en]

    A metal-organic framework Nd(BTC)(H2O)·DMF (1), which is isostructural with reported Dy(BTC)(H2O)·DMF [1], Tb(BTC)(H2O)1.5·(DMF) (MOF-76) [2] and Eu(BTC)(H2O)·1.5H2O [3], is synthesized. The compound 1 was characterized by SEM/EDS, TGA and in situ PXRD. The structure was determined by single crystal X-ray diffraction. Compound 1 crystallizes in a chiral space group P43, with a = 10.4278(4) and c = 14.2602(12) Å. The structure contains 1D chiral -Nd-O-C-O-Nd- chains linked by the phenyl groups of BTC ligands. The 3D framework contains circular channels along the [001] direction and is stable up to 400°C.

  • 59.
    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.

  • 60.
    Gustafsson, Mikaela
    et al.
    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.
    Crystal Formation and Size Control of Zeolitic Imidazolate Frameworks with Mixed Imidazolate Linkers2013In: Journal of porous materials, ISSN 1380-2224, E-ISSN 1573-4854, Vol. 20, no 1, p. 55-63Article in journal (Refereed)
    Abstract [en]

    The effect of synthesis parameters, such as batch composition and synthesis temperature, on the formationand crystal size of zeolitic imidazolate frameworks(ZIFs) using mixed linkers, imidazole (Im) and benzimidazole(bIm), were studied by X-ray powder diffraction(XRPD) and scanning electron microscopy (SEM). ZIF-7and ZIF-62 were identified as the main phases and a phasediagram relating the batch composition and the finalproduct was constructed based on XRPD and SEM. Therange of batch composition giving rise to ZIF-7 and ZIF-62was identified from the phase diagram. Changes of crystalsize and morphology of ZIF-7 and ZIF-62 in terms of batchcomposition and synthesis temperature were studied bySEM and different trends were observed for the two ZIFs.Thermogravimetric analysis (TGA) and in situ XRPDshowed that ZIF-62 possesses a similar high thermal stabilityas ZIF-7.

  • 61.
    Görbe, Tamás
    et al.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Gustafson, Karl P. J.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Verho, Oscar
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Kervefors, Gabriella
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Zheng, Haoquan
    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).
    Johnston, Eric V.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Bäckvall, Jan-E.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Design of a Pd(0)-CalB CLEA Biohybrid Catalyst and Its Application in a One-Pot Cascade Reaction2017In: ACS Catalysis, ISSN 2155-5435, E-ISSN 2155-5435, Vol. 7, no 3, p. 1601-1605Article in journal (Refereed)
    Abstract [en]

    Herein, a design of a biohybrid catalyst is described, consisting of Pd nanoparticles and a cross-linked network of aggregated lipase B enzyme of Candida antarctica (CalB CLEA) functioning as an active support for the Pd nanoparticles. Both entities of the hybrid catalyst showed good catalytic activity. The applicability was demonstrated in a one-pot reaction, where the Pd-catalyzed cycloisomerization of 4-pentynoic acid afforded a lactone that serves as an acyl donor in a subsequent selective enzymatic kinetic resolution of a set of sec-alcohols. The catalyst proved to be robust and could be recycled five times without a significant loss of activity.

  • 62.
    Han, Lei
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Qin, Lan
    Xu, Lanping
    Zhou, Yan
    Sun, Junliang
    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 novel photochromic calcium based metal organic framework derived from a naphthalene diimide chromophore2013In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 49, no 4, p. 406-408Article in journal (Refereed)
    Abstract [en]

    A novel 3D calcium-based metal-organic framework based on a naphthalene diimide chromophore has been synthesized which displays a unique doubly interpenetrated 7-connected net with total point symbol of {3(6).4(9).5(6)}. Excellent thermal stability and reversible photochromic properties have been observed in this compound.

  • 63. Han, Lei
    et al.
    Qin, Lan
    Yan, Xiao-Zhi
    Xu, Lan-Ping
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Yu, Lei
    Chen, Hong-Bing
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Two Isomeric Magnesium Metal-Organic Frameworks with [24-MC-6] Metallacrown Cluster2013In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 13, no 5, p. 1807-1811Article in journal (Refereed)
    Abstract [en]

    Two novel Mg-based metal-organic framework isomers with the formula [Mg-2(HCO2)(2)(NH2-BDC)-(DMF)(2)](n) (NH2-BDC = 2-amino-1,4-benzenedicarboxylate) have been synthesized based on a 6-connected [24-MC-6] metallacrown secondary building unit (SBU), which display a two-dimensional (2D) 3(6) net (1) and three-dimensional primitive rhombohedral net (2) derived from a different extended orientation of SBU, respectively. The 2D framework of 1 exhibits relevant thermal stability, solvents stability, high CO2 adsorption, and strong luminescent properties.

  • 64. Han, Yu
    et al.
    Zhang, Daliang
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Chng, Leng Leng
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Zhao, Lan
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Ying, Jackie Y.
    A tri-continuous mesoporous material IBN-9 with the silica pore wall following a hexagonal minimal surface2009In: Nature Chemistry, ISSN 1755-4349, Vol. 1, p. 123-127Article in journal (Refereed)
    Abstract [en]

    Ordered porous materials with unique pore structures and pore sizes in the mesoporous range (2–50 nm) have many applications in catalysis, separation and drug delivery. Extensive research has resulted in mesoporous materials with onedimensional, cage-like and bi-continuous pore structures. Three families of bi-continuous mesoporous materials have been made, with two interwoven but unconnected channels, corresponding to the liquid crystal phases used as templates. Here we report a three-dimensional hexagonal mesoporous silica, IBN-9, with a tri-continuous pore structure that is synthesized using a specially designed cationic surfactant template. IBN-9 consists of three identical continuous interpenetrating channels, which are separated by a silica wall that follows a hexagonal minimal surface. Such a tri-continuous mesostructure was predicted mathematically, but until now has not been observed in real materials.

    Keywords: mesoporous structure, electron microscopy, self-assembly

  • 65.
    Hovmöller, Sven
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, Linus Hovmöller
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Grushko, Benjamin
    Structures of pseudo-decagonal approximants in Al-Co-Ni2012In: Philosophical Transactions. Series A: Mathematical, physical, and engineering science, ISSN 1364-503X, E-ISSN 1471-2962, Vol. 370, no 1969, p. 2949-2959Article in journal (Refereed)
    Abstract [en]

    Quasi-crystals shocked the crystallographic world when they were reported in 1984. We now know that they are not a rare exception, and can be found in many alloy systems. One of the richer systems for quasi-crystals and their approximants is Al-Co-Ni. A large series of pseudo-decagonal (PD) approximants have been found. Only two of them, PD4 and PD8, have been solved by X-ray crystallography. We report here the structures of PD1, PD2, PD3 and PD5, solved from the limited information that is provided by electron diffraction patterns, unit cell dimensions and high-resolution electron microscopy images.

  • 66. Hua, Wei
    et al.
    Chen, Hong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). China University of Geosciences, People's Republic of China.
    Yu, Zheng-Bao
    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 Germanosilicate Structure with 11 x 11 x 12-Ring Channels Solved by Electron Crystallography2014In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 53, no 23, p. 5868-5871Article in journal (Refereed)
    Abstract [en]

    Zeolites have been widely used in industry owing to their ordered micropores and stable frameworks. The pore sizes and shapes are the key parameters that affect the selectivity and efficiency in their applications in catalysis, sorption, and separation. Zeolites with pores defined by 10 and 12 TO4 tetrahedra are often used for various catalytic processes. To optimize the performance of zeolites, it is extremely desirable to fine-tune the pore sizes/shapes. The first germanosilicate zeolite with a three-dimensional 11 x 11 x 12-ring channel system, PKU-16 (PKU, Peking University) is presented. Nanosized PKU-16 was structurally characterized by the new three-dimensional rotation electron diffraction (RED) technique. PKU-16 is structurally related to the zeolite beta polymorph C (BEC, 12 x 12 x 12-ring channels) by rotating half of the four-rings in double mtw units.

  • 67.
    Huang, Shiliang
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Christensen, Kirsten
    Peskov, Maxim V.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Yang, Sihai
    Li, Kuo
    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).
    Two Open-Framework Germanates with Nickel Complexes Incorporated into the Framework2011In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 50, no 20, p. 9921-9923Article in journal (Refereed)
    Abstract [en]

    Two open-framework germanates, SUT-1 and SUT-2, have been synthesized under hydrothermal conditions using ethylenecliamine (en, H(2)NCH(2)CH(2)NH(2)) as templates and Ni(NO(3))(2)center dot 6H(2)O as the transition-metal source. Their frameworks are built with Gel() clusters and [Ni(en)(2)](2+) complexes. In both structures, Gel clusters form square nets in the a-c plane, while the [Ni(en)2]2+ complexes bridge the square nets via Ni-O-Ge bonds to form 3D networks. They present the first examples to incorporate Ni(2+) complexes into the germanate frameworks. In SUT-2, additional linkages by Ge(2)O(7) clusters between the square nets generate a new type of topology.

  • 68.
    Huang, Shiliang
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Inge, A. Ken
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Yang, Sihai
    Christensen, Kirsten E.
    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).
    SU-75: a disordered Ge-10 germanate with pcu topology2012In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 41, no 40, p. 12358-12364Article in journal (Refereed)
    Abstract [en]

    A disordered open-framework germanate, denoted as SU-75, was synthesized under hydrothermal conditions using diethylenetriamine (dien) or alternatively 1,4-diaminobutane (dab) as the structure directing agent (SDA). SU-75 crystallizes in a tetragonal space group I-42d(No. 122) with a= 18.145(3) Å and c= 41.701(9) Å. The three-dimensional (3D) framework is built from Ge10(O,OH)28(Ge10) clusters that are connected following the pcu ( primitive cubic) net topology. SU-75 has 10-, 11- and 12-ring channels along the a- and b-axes and channels with alternating 8-, 10-, 12-, 10-ring openings along the c-axis. The framework exhibits a serious disorder, resulted from two possible connectivities between the units of four Ge 10clusters (4Ge10 unit). The chemical formula of SU-75 is |(H2SDA)2(H2O)n|[Ge10O21(OH)2] (SDA = dien or dab,n= 5–6), determined by combining single crystalsynchrotron X-ray diffraction, thermogravimetric analysis (TGA) and CHN elemental analysis. A superoctahedron is introduced to simplify the description of the connectivity of the Ge10 clusters and to illustrate the disorder. This is also used to compare the structure of SU-75 with those of related Ge10 germanates.

  • 69.
    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.

  • 70.
    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)
  • 71.
    Huang, Shiliang
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). China Academy of Engineering Physics, China.
    Yue, Huijuan
    Chen, Yanping
    Liu, Yu
    Guan, Yuxiang
    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.
    Three-Dimensional Open-Framework Germanate Built from a Novel Ge-13 Cluster and Containing Two Types of Chiral Layers2018In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 18, no 2, p. 928-933Article in journal (Refereed)
    Abstract [en]

    A new open-framework germanate [Ge15O30(OH)(4)]center dot 2(H(2)tren), denoted SU-69, was synthesized under hydrothermal conditions with tris(2-aminoethyl)-amine (tren) as a structure directing agent (SDA). SU-69 crystallizes in a monoclinic space group (C2/c, No. 15) with a = 20.2656(7) angstrom, b = 11.6250(4) angstrom, c = 18.5602(10) angstrom, and beta = 90.528(4)degrees. The framework of SU-69 is built from a novel Ge13O27(OH)(2) (Ge-13) cluster with two additional GeO3(OH) tetrahedra. Two types of chiral 3,6-net building layers are found in the framework, which alternately stack and connect to form a three-dimensional achiral framework with a two-dimensional 10 x 12-ring channel system. The SDA molecules interact with the framework via H-bonds. The thermal stability of as-synthesized SU-69 has also been investigated.

  • 72. Hussein, Kamal Hany
    et al.
    Abdelhamid, Hani Nasser
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Assuit University, Egypt.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Woo, Heung-Myong
    Ultrasonicated graphene oxide enhances bone and skin wound regeneration2019In: Materials science & engineering. C, biomimetic materials, sensors and systems, ISSN 0928-4931, E-ISSN 1873-0191, Vol. 94, p. 484-492Article in journal (Refereed)
    Abstract [en]

    In the present study, we investigated the applications of ultrasonicated graphene oxide (UGO) for bone regeneration and skin wound healing. Ultrasonication of a GO suspension increased the dispersion and stability (by increasing the zeta potential) of the GO suspension. UGO has fewer oxygen-containing groups but still displays excellent water dispersion. The UGO supension showed high biocompatibility for human fetal osteoblast (hFOB cells), human endothelial cells (EA.hy 926 cells), and mouse embryonic fibroblasts. Importantly, UGO could support cell attachment and proliferation, in addition to promoting the osteogenesis of seeded cells and the promotion of new bone formation. In addition, a 1% UGO supension enhanced cell migration in an in vitro skin scratch assay and promoted wound closure in an in vivo rat excisional skin defect model. These results showed that UGO offers a good environment for cells involved in bone and skin healing, suggesting its potential application in tissue regeneration.

  • 73.
    Ibarra, Ilich A.
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Universidad Nacional Autónoma de México, Mexico.
    Mace, Amber
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Yang, Sihai
    Sun, Junliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Lee, Sukyung
    Chang, Jong-San
    Laaksonen, Aatto
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Schröder, Martin
    Zou, Xiaodong
    Adsorption Properties of MFM-400 and MFM-401 with CO2 and Hydrocarbons: Selectivity Derived from Directed Supramolecular Interactions2016In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 55, no 15, p. 7219-7228Article in journal (Refereed)
    Abstract [en]

    ([Sc-2(OH)(2)(BPTC)]) (H4BPTC = biphenyl-3,3',5,5'-tetracarboxylit acid), MFM-400 (MFM = Manchester Framework Material; previously designated NOTT), and ([Sc(OH)-(TDA)]) (H(2)TDA = thiophene-2,5-dicarboxylic acid), MFM-401, both show xelective and, reversible capture of CO2. In particular, MFM-400 exhibits a reasonably high CO2 uptake at low pressures and competitive CO2/N-2 selectivity coupled to a moderate isosteric heat of adsorption (Q(st)) for CO2 (29.5 kJ mol(-1)) at zero coverage, thus affording a facile uptake release process. Grand canonical Monte Carlo (GCMC) and density functional theory (DFT) computational analyses of CO2 uptake in both materials confirmed preferential adsorption sites consistent with the higher CO2 uptake observed experimentally for MFM-400 over MFM-401 at low pressures. For MFM-400, the Sc-OH group participates in moderate interactions with CO2 (Q(st) = 33.5 kJ mol(-1)), and these are complemented by weak hydrogen-bonding interactions (O center dot center dot center dot H-C = 3.10-3.22 angstrom) from four surrounding aromatic -CH groups. In the case of MFM-401, adsorption is provided by cooperative interactions of CO2 with the Sc-OH group and one C-H group. The binding energies obtained by DFT analysis for the adsorption sites for both materials correlate well with the observed moderate isosteric heats of adsorption for CO2. GCMC simulations for both materials confirmed higher uptake of EtOH compared with nonpolar vapors of toluene and. cydohexane. This is in good Correlation with the experimental data, and DFT analysis confirmed the formation of a strong hydrogen bond between EtOH and the hydrogen atom of the hydroxyl group of the MFM-400 and MFM-401 framework (FIAT) with H-O-EtOH center dot center dot center dot H-O-FW distances of 1.77 arid 1.75 angstrom, respectively. In addition, the accessible regeneration of MFM-400 and MFM-401 and release of CO2 potentially provide minimal economic and environmental penalties.

  • 74.
    Inge, A. Ken
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Christensen, Kirsten E.
    Willhammar, Tom
    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 Germanate with a Collapsible Open-Framework2016In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 16, no 12, p. 6967-6973Article in journal (Refereed)
    Abstract [en]

    A novel open-framework germanate, vertical bar NC2H8 vertical bar vertical bar N2C6H18 vertical bar, [Ge7O14.5F2].4H(2)O denoted SU-65 (SU = Stockholm University), with 24-ring channels and a very low framework density of 8.9 Ge atoms per 1000 angstrom(3) was synthesized under hydro-solvothermal conditions. The framework of SU-65 is built of 5-connected Ge-7 clusters decorating the fee net and is a framework orientation isomer to ASU-16. Half of the 8- and 12-rings in ASU-16 are instead 10-rings in SU-65 due to the different orientations of half of the clusters in the crystal structure. Flexibility of the frameworks is also influenced by the orientation of the clusters. The unique unit cell angle in SU-65 changes upon heating, unlike ASU-16 which only undergoes changes in unit cell lengths. SU-65 undergoes significant structural changes at 180 degrees C in a vacuum, forming SU-65ht. The crystal structure of SU-65ht was investigated by rotation electron diffraction, X-ray powder diffraction, and infrared spectroscopy. Through these techniques it was deduced that SU-65ht has similar clusters, symmetry, and topology as SU-65, but one of the unit cell lengths is shortened by approximately 5 A. This corresponds to a 22% decrease in unit cell volume.

  • 75.
    Inge, A. Ken
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Fahlquist, Henrik
    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).
    Huang, Yining
    McCusker, Lynne B.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Solving complex open-framework structures from X-ray powder diffraction by direct-space methods using composite building units2013In: Journal of applied crystallography, ISSN 0021-8898, E-ISSN 1600-5767, Vol. 46, p. 1094-1104Article in journal (Refereed)
    Abstract [en]

    The crystal structure of a novel open-framework gallogermanate, SU-66 {|(C6H18N2)(18)(H2O)(32)|[Ga4.8Ge87.2O208]}, has been solved from laboratory X-ray powder diffraction (XPD) data by using a direct-space structure solution algorithm and local structural information obtained from infrared (IR) spectroscopy. IR studies on 18 known germanates revealed that the bands in their IR spectra were characteristic of the different composite building units (CBUs) present in the structures. By comparing the bands corresponding to Ge-O vibrations in the IR spectra of SU-66 with those of the 18 known structures with different CBUs, the CBU of SU-66 could be identified empirically as the Ge-10(O,OH)(27) cluster (Ge-10). The unit cell and space group (extinction symbol P--a; a = 14.963, b = 31.593, c = 18.759 angstrom) were determined initially from the XPD pattern and then confirmed by selected-area electron diffraction. The structure of SU-66 was solved from the XPD data using parallel tempering as implemented in FOX [Favre-Nicolin & Cerny (2002). J. Appl. Cryst. 35, 734-743] by assuming P2(1)ma symmetry and two Ge-10 clusters in the asymmetric unit. Rietveld refinement of the resulting structure using synchrotron XPD data showed the framework structure to be correct and the space group to be Pmma. The framework has extra-large (26-ring) onedimensional channels and a very low framework density of 10.1 Ge/Ga atoms per 1000 angstrom(3). SU-66, with 55 framework atoms in the asymmetric unit, is one of the more complicated framework structures solved from XPD data. Indeed, 98% of the reflections were overlapping in the XPD pattern used for structure solution. Tests on other open-framework germanates (SU-62, SU-65, SU-74, PKU-12 and ITQ-37) for which the XPD data, unit cell, space group and IR spectra were available proved to be equally successful. In a more complex case (SU-72) the combination of FOX and powder charge flipping was required for structure solution.

  • 76.
    Inge, A. Ken
    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).
    Moraga, Francisca
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Guo, Bing
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Three low dimensional open germanates based on the 4(4) net2012In: CrystEngComm, ISSN 1466-8033, E-ISSN 1466-8033, Vol. 14, no 17, p. 5465-5471Article in journal (Refereed)
    Abstract [en]

    Three novel low-dimensional open-germanates, denoted as SU-71, SU-72 and SU-73, were synthesized by solvothermal methods and their structures were determined by single crystal X-ray diffraction. The structures of SU-71, SU-72 and SU-73 are all built from Ge7X19 (X = O, OH or F) clusters that are connected according to the topologies related to the 4(4) net. SU-71 has a layered structure following the 4(4) net, SU-72 contains 2D slabs with unprecedented crescent-shaped 23-ring channels and SU-73 consists of zero-dimensional (0D) open nanoballs. SU-71 and SU-72 were both synthesized using 1-(2-aminoethyl)piperazine (AEP) as the organic structure directing agent, while pentaethylenehexamine (PEHA) was used for the synthesis of SU-73. All three phases form in the presence of HF, which promotes the formation of the Ge7X19 cluster. A comparison of the related structures reveals a relationship between the orientation of the Ge7X19 building units and the curvature of the 4(4) net layer.

  • 77.
    Inge, Andrew Kentaro
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Christensen, Kirsten
    Guo, Bing
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    SU-65: The Orientation of Five-connected Ge7X19(X = O, OH, F) Clusters in the fee NetManuscript (preprint) (Other academic)
  • 78.
    Inge, Andrew Kentaro
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Huang, Shiliang
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Chen, Hong
    Moraga, Francisca
    Sun, Junliang
    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).
    The Structure of a Complex Open-framework Germanate Obtained by Combining Powder Charge-Flipping and Simulated Annealing2012In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 12, no 10, p. 4853-4860Article in journal (Refereed)
    Abstract [en]

    A novel open-framework germanate SU-74 containing intersecting 10- and 12-ring channels was prepared by hydrothermal synthesis using 2-methylpentamethylenediamine (MPMD) or 1-(2-aminoethyl)piperazine (AEP) as the organic structure directing agent (SDA). The framework structure of SU-74-MPMD was solved from X-ray powder diffraction (XRPD) data using powder charge-flipping (pCF). The guest species H2MPMD2+, NH4+ cations and water molecules were located in the voids using real-space simulated annealing. SU-74-MPMD contains 51 non-hydrogen atoms in its asymmetric unit and is one of the most complex framework structures solved by XRPD. The structure of SU-74-AEP was solved by single crystal synchrotron X-ray diffraction. SU-74-MPMD and SU-74-AEP have the same framework structure. The location of the NH4+ cations in both structures is similar, while the positions of the SDAs in the pores are different. SU-74 follows the fcu-11-P21/c net. The underlying topology of SU-74 is compared to those of other Ge10 structures containing additional GeO4 tetrahedra. The presence of additional tetrahedra can significantly affect the framework topology through the addition of edges between the Ge10 nodes.

  • 79.
    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.

  • 80.
    Inge, Andrew Kentaro
    et al.
    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).
    Sun, Junliang
    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).
    SU-62: Synthesis and Structure Investigation of a Germanate with a Novel Three-Dimensional Net and Interconnected 10- and 14-Ring Channels2012In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 12, no 1, p. 369-375Article in journal (Refereed)
    Abstract [en]

    A novel 3D open-framework germanate, vertical bar N(2)C(4)H(14)vertical bar(4) [Ge(20)O(41)(OH)(6)]center dot 3H(2)O (SU-62), was prepared from hydrothermal synthesis using 1,4-diaminobutane as the organic structure directing agent (SDA). The crystal structure was solved by single crystal X-ray diffraction. The framework is built from Ge(10)(O,OH)(27) (Ge(10)) secondary building units and exhibits an irregular three-dimensional channel system encircled by 10- and 14-rings. The framework of SU-62 has an underlying topology that follows a novel five-coordinated svh-5-I4(1)/amd net, while the pores follow the tsi net. The thermal behavior of SU-62 was studied by thermogravimetric (TG) analysis and in situ X-ray diffraction (XRPD). Crystallographic data: orthorhombic, space group Fdd2, unit cell parameters a = 15.297(3) angstrom, b = 53.58(1) angstrom, c = 14.422(3) angstrom, V = 11821(4) angstrom(3), Z = 8.

  • 81.
    Inge, Andrew Kentaro
    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).
    Moraga, Francisca
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Guo, Bing
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Three Low-Dimensional Open-Germanates Derived from the 4^4 NetIn: CrystEngComm, ISSN 1466-8033, E-ISSN 1466-8033Article in journal (Refereed)
  • 82.
    Inge, Andrew Kentaro
    et al.
    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).
    McCusker, Lynne
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    SU-66: An Open-framework Gallogermanate with 26-ringchannels Solved by Combining Infrared Spectroscopy, ElectronDiffraction and X-ray Powder DiffractionManuscript (preprint) (Other academic)
  • 83.
    Inge, Andrew Kentaro
    et al.
    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).
    Open-Framework Germanates and Related Materials2013In: Nanoporous Materials: Synthesis and Applications, London: Taylor & Francis Group, 2013Chapter in book (Other academic)
  • 84.
    Iqbal, M. Naeem
    et al.
    Stockholm University, Faculty of Science, Department of Organic Chemistry. Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Abdel-Magied, Ahmed F.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Abdelhamid, Hani Nasser
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Olsén, Peter
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Shatskiy, Andrey
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Åkermark, Björn
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Kärkäs, Markus D.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Johnston, Eric V.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Mesoporous Ruthenium Oxide: A Heterogeneous Catalyst for Water Oxidation2017In: ACS Sustainable Chemistry & Engineering, ISSN 2168-0485, Vol. 5, no 11, p. 9651-9656Article in journal (Refereed)
    Abstract [en]

    Herein we report the synthesis of mesoporous ruthenium oxide (MP-RuO2) using a template-based approach. The catalytic efficiency of the prepared MP-RuO2 was compared to commercially available ruthenium oxide nanoparticles (C-RuO2) as heterogeneous catalysts for water oxidation. The results demonstrated superior performance of MP-RuO2 for oxygen evolution compared to the C-RuO2 with respect to recyclability, amount of generated oxygen, and stability over several catalytic runs.

  • 85. Jiang, Jiuxing
    et al.
    Yun, Yifeng
    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.
    Jorda, Jose Luis
    Corma, Avelino
    ITQ-54: a multi-dimensional extra-large pore zeolite with 20 [times] 14 [times] 12-ring channels2015In: Chemical Science, ISSN 2041-6520, E-ISSN 2041-6539, Vol. 6, p. 480-485Article in journal (Refereed)
    Abstract [en]

    A multi-dimensional extra-large pore silicogermanate zeolite, named ITQ-54, has been synthesised by in situ decomposition of the N,N-dicyclohexylisoindolinium cation into the N-cyclohexylisoindolinium cation. Its structure was solved by 3D rotation electron diffraction (RED) from crystals of ca. 1 [small mu ]m in size. The structure of ITQ-54 contains straight intersecting 20 [times] 14 [times] 12-ring channels along the three crystallographic axes and it is one of the few zeolites with extra-large channels in more than one direction. ITQ-54 has a framework density of 11.1 T atoms per 1000 A3, which is one of the lowest among the known zeolites. ITQ-54 was obtained together with GeO2 as an impurity. A heavy liquid separation method was developed and successfully applied to remove this impurity from the zeolite. ITQ-54 is stable up to 600 [degree]C and exhibits permanent porosity. The structure was further refined using powder X-ray diffraction (PXRD) data for both as-made and calcined samples.

  • 86.
    Kapaca, Elina
    et al.
    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).
    Willhammar, Tom
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Detailed Structural Survey of the Zeolite ITQ-39 by Electron Crystallography2017In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 17, no 4, p. 1910-1917Article in journal (Refereed)
    Abstract [en]

    The structure of the highly faulted zeolite ITQ-39 was previously determined by electron crystallography, revealing the presence of stacking disorders and twinning. Structural models of three polytypes were proposed, providing a basic description of the ITQ-39 material. Here, a more comprehensive description of the complex structure of the ITQ-39 zeolite is presented based on a onedimensional periodic building unit. The study includes a detailed description of the structural defects in the material based on the analysis of high resolution transmission electron microscopy images and information on how the defects influence the pore system. A new structure arrangement with alternating twinning was found in the material, and structural models of three twinned end-members are presented. The geometry of the different structural models is evaluated to understand the formation of the crystals.

  • 87. Karlsson, Erik A.
    et al.
    Lee, Bao-Lin
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Liao, Rong-Zhen
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Åkermark, Torbjörn
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Kärkäs, Markus D.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Becerril, Valeria Saavedra
    Abrahamsson, Maria
    Siegbahn, Per E. M.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Åkermark, Björn
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Synthesis and electron transfer processes in a new family of coupled Mn2–Ru complexesManuscript (preprint) (Other academic)
  • 88.
    Karlsson, Erik A.
    et al.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Lee, Bao-Lin
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Liao, Rong-Zhen
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Åkermark, Torbjörn
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Kärkäs, Markus D.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Becerril, Valeria Saavedra
    Siegbahn, Per E. M.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Abrahamsson, Maria
    Åkermark, Björn
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Synthesis and Electron-Transfer Processes in a New Family of Ligands for Coupled Ru-Mn2 Complexes2014In: ChemPlusChem, ISSN 2192-6506, Vol. 79, no 7, p. 936-950Article in journal (Refereed)
    Abstract [en]

    A series of [Ru(bpy)(3)](2+)-type (bpy= 2,2'-bipyridine) photosensitisers have been coupled to a ligand for Mn, which is expected to give a dinuclear complex that is active as a water oxidation catalyst. Unexpectedly, photophysical studies showed that the assemblies had very short lived excited states and that the decay patterns were complex and strongly dependent on pH. One dyad was prepared that was capable of catalysing chemical water oxidation by using [Ru(bpy)(3)](3+) as an oxidant. However, photochemical water oxidation in the presence of an external electron acceptor failed, presumably because the short excited-state lifetime precluded initial electron transfer to the added acceptor. The photophysical behaviour could be explained by the presence of an intricate excited-state manifold, as also suggested by time-dependent DFT calculations.

  • 89.
    Lee, Bao-Lin
    et al.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Kärkäs, Markus D.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Johnston, Eric V.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Inge, Andrew K.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Tran, Lien-Hoa
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Xu, Yunhua
    Hansson, Örjan
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Åkermark, Björn
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Synthesis and characterization of oligonuclear Ru, Co, and Cu oxidation catalysts2010In: European Journal of Inorganic Chemistry, ISSN 1434-1948, E-ISSN 1099-1948, no 34, p. 5462-5470Article in journal (Refereed)
    Abstract [en]

    In this work, we report the preparation and crystal structures of three new oligonuclear complexes, Ru-2(bbpmp)(mu-OAc)(3) (4), [Co-2(bbpmp)(mu-OAc)(mu-OMe)](PF6) (5), [Cu-4(Hbbpmp)(2)(mu-OAc)(H2O)(2)](OAc)(PF6)(2) (6) {H(3)bbpmp = 2,6-bis[(2-hydroxybenzyl)-(2-pyridylmethyl)aminomethyl]-4-methylphenol (3)}. The structures of the complexes were determined by single-crystal X-ray diffraction. The oxidation states of ruthenium, cobalt and copper in the complexes are +3, +3 and +2, respectively. In 4 and 5, Ru-III and Co-III are coordinated to four oxygen and two nitrogen atoms in an octahedral geometry, while in 6, Cu-II adopts both octahedral (CuN2O4) and square-pyramidal (CuN2O3) geometry. The potential of the three complexes as oxidation catalysts has been investigated.

  • 90. Lee, Hwajun
    et al.
    Shin, Jiho
    Choi, Wanuk
    Choi, Hyun June
    Yang, Taimin
    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).
    Hong, Suk Bong
    PST-29: A Missing Member of the RHO family of Embedded Isoreticular Zeolites2018In: Chemistry of Materials, ISSN 0897-4756, E-ISSN 1520-5002, Vol. 30, no 19, p. 6619-6623Article in journal (Refereed)
  • 91. Lenzen, Dirk
    et al.
    Zhao, Jingjing
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Ernst, Sebastian-Johannes
    Wahiduzzaman, Mohammad
    Inge, A. Ken
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Fröhlich, Dominik
    Xu, Hongyi
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Bart, Hans-Jörg
    Janiak, Christoph
    Henninger, Stefan
    Maurin, Guillaume
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Stock, Norbert
    A metal-organic framework for efficient water-based ultra-low-temperature-driven cooling2019In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 10, article id 3025Article in journal (Refereed)
    Abstract [en]

    Efficient use of energy for cooling applications is a very important and challenging field in science. Ultra-low temperature actuated (T-driving< 80 degrees C) adsorption-driven chillers (ADCs) with water as the cooling agent are one environmentally benign option. The nanoscale metal-organic framework [Al(OH)(C6H2O4S)] denoted CAU-23 was discovered that possess favorable properties, including water adsorption capacity of 0.37 g(H2O)/g(sorbent) around p/p(0 )= 0.3 and cycling stability of at least 5000 cycles. Most importantly the material has a driving temperature down to 60 degrees C, which allows for the exploitation of yet mostly unused temperature sources and a more efficient use of energy. These exceptional properties are due to its unique crystal structure, which was unequivocally elucidated by single crystal electron diffraction. Monte Carlo simulations were performed to reveal the water adsorption mechanism at the atomic level. With its green synthesis, CAU-23 is an ideal material to realize ultra-low temperature driven ADC devices.

  • 92. Li, M
    et al.
    Zou, Xiaodong
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Kuo, K
    "A new hexagonal phase displaying pseudo-icosahedral symmetry in Zn–Mg–Y alloy”2009In: Scripta Materialia, ISSN 1359-6462, E-ISSN 1872-8456, Vol. 60, no 8, p. 683-686Article in journal (Refereed)
    Abstract [en]

    A number of hexagonal phases displaying pseudo-icosahedral symmetry have been reported in Zn–Mg–RE alloy, but no cubic or orthorhombic approximants. In the present work another new hexagonal phase, H0 (a = 9.1A ˚ , c = 19.7A ˚ ), was found to coexist with H-(Zn,Mg)5Y. Their orientation relationship was determined to be h100iH0 || h100iH, [001]H0 || [001]H. Since their electron diffraction patterns are similar to the corresponding patterns of an icosahedral quasicrystal, they are both considered to be approximants of the Zn–Mg–Y icosahedral quasicrystal.

     

  • 93.
    Li, Mingrun
    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).
    Oleynikov, Peter
    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).
    Grushko, Benjamin
    Institut für Festkörperforschung, Forschungszentrum Jülich.
    A complicated quasicrystal approximant ε16 predicted by the strong-reflections approach2010In: Acta Crystallographica Section B: Structural Science, ISSN 0108-7681, E-ISSN 1600-5740, Vol. 66, no part 1, p. 17-26Article in journal (Refereed)
    Abstract [en]

    The structure of a complicated quasicrystal approximant ϵ16 was predicted from a known and related quasicrystal approximant ϵ6 by the strong-reflections approach. Electron-diffraction studies show that in reciprocal space, the positions of the strongest reflections and their intensity distributions are similar for both approximants. By applying the strong-reflections approach, the structure factors of ϵ16 were deduced from those of the known ϵ6 structure. Owing to the different space groups of the two structures, a shift of the phase origin had to be applied in order to obtain the phases of ϵ16. An electron-density map of ϵ16 was calculated by inverse Fourier transformation of the structure factors of the 256 strongest reflections. Similar to that of ϵ6, the predicted structure of ϵ16 contains eight layers in each unit cell, stacked along the b axis. Along the b axis, ϵ16 is built by banana-shaped tiles and pentagonal tiles; this structure is confirmed by high-resolution transmission electron microscopy (HRTEM). The simulated precession electron-diffraction (PED) patterns from the structure model are in good agreement with the experimental ones. ϵ16 with 153 unique atoms in the unit cell is the most complicated approximant structure ever solved or predicted.

  • 94.
    Li, Yunxiang
    et al.
    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).
    Zou, Xiaodong
    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).
    Gao, Feifei
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Nanocrystalline TON-type zeolites synthesized under static conditionsManuscript (preprint) (Other academic)
  • 95.
    Li, Yunxiang
    et al.
    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).
    Zou, Xiaodong
    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).
    Gao, Feifei
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Nanocrystalline TON-type zeolites synthesized under static conditions2018In: Microporous and Mesoporous Materials, ISSN 1387-1811, E-ISSN 1873-3093, Vol. 256, p. 84-90Article in journal (Refereed)
    Abstract [en]

    Pure-phase zeolites of the TON-type were synthesized under static hydrothermal conditions, which previously have, typically, required stirring during synthesis. Heterocyclic structure directing agents (SDAs) were observed to play important roles in both the selection of the polymorphs as well as in affecting the morphology of the particles formed. When an imidazole-based SDA was used snowflake shaped particles formed, which indicated a dendritic growth pattern of the zeolite. These zeolite particles possessed intercrystalline mesopores. To the best of our knowledge, it is for the first time that snowflake-shaped particles have been observed for TON-type zeolites. Other synthesis parameters were optimized to obtain crystals with short c-axes. The c-axis shortened with an increased solid concentration used during synthesis. This shortening was attributed to both the degree of supersaturation, and a change of the crystal growth mechanism. Short c-axes could increase the concentration of pore mouths in TON-type zeolites. Altogether, synthesis of nanocrystalline zeolites of the TON type under static condition could, potentially, be advantageous to large-scale production.

  • 96.
    Li, Yunxiang
    et al.
    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).
    Yun, Yifeng
    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).
    Edén, Mattias
    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).
    De-agglomeration of IZM-2 zeolite crystals by post-synthetic treatment2016In: Microporous and Mesoporous Materials, ISSN 1387-1811, E-ISSN 1873-3093, Vol. 225, p. 185-191Article in journal (Refereed)
    Abstract [en]

    Highly intergrown nanocrystals are commonly observed in zeolite samples, and the densely packed agglomerates may result in small secondary porosity, which restricts the advantage of hierarchical structures. In this work we take IZM-2 zeolite as an example to demonstrate a post-treatment method with diluted hydrofluoric acid solution, which de-agglomerates intergrown zeolite nanocrystals and improves the secondary porosity. The treated samples preserve high crystallinity, similar framework composition and distinctively higher external surface area compared to the agglomerated ones. The results show that this treatment is an effective method for de-agglomeration of intergrown nanocrystals without affecting the original framework.

  • 97. 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.

  • 98.
    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.

  • 99.
    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.

  • 100. Lin, S.
    et al.
    Shi, L.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Ribeiro Carrott, M. M. L.
    Carrott, P. J. M.
    Rocha, J.
    Li, M. R.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Zou, X. D.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Direct synthesis without addition of acid of Al-SBA-15 with controllable porosity and high hydrothermal stability2011In: Microporous and Mesoporous Materials, ISSN 1387-1811, E-ISSN 1873-3093, Vol. 142, no 2-3, p. 526-534Article in journal (Refereed)
    Abstract [en]

    Using triblock copolymer Pluronic P123 as a structure-directing agent, water as solvent, tetraethyl orthosilicate (TEOS) and aluminium sulfate (Al(2)(SO(4))(3) 18H(2)O) as silica and aluminium sources, respectively, a series of Al-SBA-15 with well-ordered mesostructure has been hydrothermally synthesized up to high aging temperature through a one-step approach in an environmentally friendly mineral acid-free medium. The influence of some synthesis parameters such as Si/AI molar ratio (5-100), P123/Si molar ratio (0.0025-0.014) and aging temperature (363-443 K) on the properties of the resultant materials were investigated by powder X-ray diffraction (XRD), nitrogen adsorption-desorption at 77 K. transmission electron microscopy (TEM), and solid state (27)Al MAS NMR analyses. The textural properties of Al-SBA-15, such as specific surface area, pore volume and mesopore size, can be modified by simply adjusting those synthesis parameters. Solid state (27)Al MAS NMR results show direct evidence that aluminium is introduced onto the wall structure and located mainly at tetrahedrally coordinated sites. The structural ordering increases with increasing aluminium sulfate amount in the gel from Si/Al of 100-5, with the aluminium species playing an important role in the formation of the ordered mesostructure. The increase of aging temperature causes widening of mesopores, which are still highly ordered upon aging at 443 K. The procedure allows the formation, up to high reaction temperature, of aluminium incorporated SBA-15 exhibiting high structural ordering and hydrothermal stability.

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