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22 March 2024 Comprehensive study of the synthetic tychite, Na6Mg2(CO3)4SO4: synthesis, structure and conductive properties.
Alexander A. Shindrov and Yelizaveta A. Morkhova Comprehensive study of the synthetic tychite, Na6Mg2(CO3)4SO4: synthesis, structure and conductive properties. Dalton Transactions, 2024, 53 (15), 6618–6624. doi: 10.1039/D4DT00396A IF 4.0
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24 February 2024 Extensive research of conductivity in the fluorite-like KLn4Mo3O15F (Ln = La, Pr, Nd) rare earth molybdates: theoretical and experimental data.
Ekaterina I. Orlova, Yelizaveta A. Morkhova, Anastasia V. Egorova, Artem A. Kabanov, Egor D. Baldin, Elena P. Kharitonova, Nikolay V. Lyskov, Vasiliy O. Yapaskurt,Olga A. Alekseeva, Valentina I. Voronkova and Daniil V. Korona Extensive research of conductivity in the fluorite-like KLn4Mo3O15F (Ln = La, Pr, Nd) rare earth molybdates: theoretical and experimental data. Physical Chemistry Chemical Physics, 2024, 26 (9), 7772–7782. doi: 10.1039/D3CP06134E IF 3.3
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1 February 2024 A redox active rod coordination polymer from tetrakis(4-carboxylic acid biphenyl)tetrathiafulvalene.
Nicolas Zigon, Federica Solano, Pascale Auban-Senzier, Stéphane Grolleau, Thomas Devic, Pavel N. Zolotarev, Davide M. Proserpio, Bolesław Barszcz, Iwona Olejniczak and Narcis Avarvari A redox active rod coordination polymer from tetrakis(4-carboxylic acid biphenyl)tetrathiafulvalene. Dalton Transactions, 2024, 53 (10), 4805–4813. doi: 10.1039/D3DT04280D IF 4.0
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29 December 2023 An Octacarboxylate-Linked Sodium Metal–Organic Framework with High Porosity.
Jiafeng Miao, Wells Graham, Jiaqi Liu, Ena Clementine Hill, Lu-Lu Ma, Saif Ullah, Hai-Lun Xia, Fu-An Guo, Timo Thonhauser, Davide M. Proserpio, Jing Li, and Hao Wang An Octacarboxylate-Linked Sodium Metal–Organic Framework with High Porosity. Journal of the American Chemical Society, 2024, 146 (1), 84–88. doi: 10.1021/jacs.3c11260 IF 15.0
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15 December 2023 A Novel Class of Multivalent Ionic Conductors of the La3CuSiS7 Structure Type: the Results of Stepwise ICSD Screening.
Artem A. Kabanov, Yelizaveta A. Morkhova, Vladislav Osipov, Manuel Rothenberger, Tilmann Leisegang and Vladislav A. Blatov A Novel Class of Multivalent Ionic Conductors of the La3CuSiS7 Structure Type: the Results of Stepwise ICSD Screening. Physical Chemistry Chemical Physics, 2024, 26 (3), 2622–2628. doi: 10.1039/D3CP04510B IF 3.3
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11 December 2023 Rational Design and Reticulation of Infinite qbe Rod Secondary Building Units into Metal–Organic Frameworks through a Global Desymmetrization Approach for Inverse C3H8/C3H6 Separation.
Wei Gong, Yi Xie, Akihito Yamano, Sho Ito, Eric W. Reinheimer, Jinqiao Dong, Christos D. Malliakas, Davide M. Proserpio, Yong Cui, Omar K. Farha Rational Design and Reticulation of Infinite qbe Rod Secondary Building Units into Metal–Organic Frameworks through a Global Desymmetrization Approach for Inverse C3H8/C3H6 Separation. Angewandte Chemie, 2024, 63(5), e202318475. doi: 10.1002/anie.202318475 IF 16.823
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22 November 2023 Stability of intermetallic compounds: Geometrical and topological aspects.
Olga A. Blatova, Maria A. Solodovnikova, Ekaterina M. Egorova, Vladislav A. Blatov Stability of intermetallic compounds: Geometrical and topological aspects. Intermetallics, 2024, 164, 108124. doi: 10.1016/j.intermet.2023.108124 IF 4.4
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14 November 2023 Hierarchical topological analysis of crystal structures: the skeletal net concept.
Blatova O. A. and Blatov V. A. Hierarchical topological analysis of crystal structures: the skeletal net concept. Acta Crystallographica Section A, 2024, 80 (1), 65–71. doi:10.1107/S2053273323008975 IF 2.290
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27 October 2023 Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.
Borja Ortín-Rubio, Jaume Rostoll-Berenguer, Carlos Vila, Davide M. Proserpio, Vincent Guillerm, Judith Juanhuix, Inhar Imaz and Daniel Maspoch Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical Science, 2023, 14, 12984–12994. doi: 10.1039/d3sc04406h IF 8.4
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27 October 2023 Theoretical and Experimental Study of the Structure and Electrochemical Properties of V-Doped TiNb2O7 Anode for Lithium-Ion Batteries.
Dmitry Z. Tsydypylov, Artem A. Kabanov, Yelizaveta A. Morkhova, Kirill S. Okhotnikov, and Nina V. Kosova Theoretical and Experimental Study of the Structure and Electrochemical Properties of V-Doped TiNb2O7 Anode for Lithium-Ion Batteries. The Journal of Physical Chemistry C, 2023, 127 (44), 21829–21840. doi:10.1021/acs.jpcc.3c05633 IF 3.7
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22 May 2023 Novel Topological Motifs and Superconductivity in Li-Cs System.
Hong-Mei Huang, Qiang Zhu, Vladislav A. Blatov, Artem R. Oganov, Xiaoting Wei, Peng Jiang, and Yan-Ling Li Novel Topological Motifs and Superconductivity in Li-Cs System. Nano Letters, 2023, 23 (11), 5012–5018. doi: 10.1021/acs.nanolett.3c00875 IF 12.262
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26 April 2023 Unlocking New Topologies in Zr-Based Metal–Organic Frameworks by Combining Linker Flexibility and Building Block Disorder.
Charlotte Koschnick, Maxwell W. Terban, Ruggero Frison, Martin Etter, Felix A. Böhm, Davide M. Proserpio, Simon Krause, Robert E. Dinnebier, Stefano Canossa, and Bettina V. Lotsch Unlocking New Topologies in Zr-Based Metal–Organic Frameworks by Combining Linker Flexibility and Building Block Disorder. Journal of the American Chemical Society, 2023, 145 (18), 10051–10060. doi: 10.1021/jacs.2c13731 IF 16.383
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21 April 2023 A topological approach to reconstructive solid-state transformations and its application for generation of new carbon allotropes.
A. A. Kabanov, E. O. Bukhteeva and V. A. Blatov A topological approach to reconstructive solid-state transformations and its application for generation of new carbon allotropes. Acta Crystallographica Section B, 2023, 79 (3), 198–206. doi: 10.1107/S205252062300255X IF 4.933
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12 April 2023 Local Atomic Configurations in Intermetallic Crystals: Beyond the First Coordination Shell.
Olga A. Blatova, Vladislav T. Osipov, Valeria E. Pavlova, Maria A. Solodovnikova, Ilya I. Trofimychev, Ekaterina M. Egorova, and Vladislav A. Blatov Local Atomic Configurations in Intermetallic Crystals: Beyond the First Coordination Shell. Inorganic Chemistry, 2023, 62 (16), 6214–6223. doi: 10.1021/acs.inorgchem.2c03607 IF 5.436
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1 March 2023 Three-periodic nets, tilings and surfaces. A short review and new results.
Olaf Delgado-Friedrichs, Michael O’Keeffe, Davide M. Proserpio and Michael M. J. Treacy Three-periodic nets, tilings and surfaces. A short review and new results. Acta Crystallographica Section A, 2023, 79 (2), 192–202. doi: 10.1107/S2053273323000414 IF 2.290
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24 February 2023 Boron Substructures in Inorganic Borides: Network Topology and Free Space.
Inna V. Medrish and Vladislav A. Blatov Boron Substructures in Inorganic Borides: Network Topology and Free Space. Crystal Growth & Design, 2023, 23 (4), 2531–2539. doi: 10.1021/acs.cgd.2c01440 IF 4.010
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8 February 2023 Pore topology analysis in porous molecular systems.
Verity Anipa, Andrew Tarzia, Kim E. Jelfs, Eugeny V. Alexandrov and Matthew A. Addicoat Pore topology analysis in porous molecular systems. Royal Society Open Science, 2023, 10 (2), 220813. doi: 10.1098/rsos.220813 IF 3.853
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17 January 2023 Elucidation of molecular crystals with one-, two- or three-dimensional geometrical models.
Vladislav A. Blatov Elucidation of molecular crystals with one-, two- or three-dimensional geometrical models. Acta Crystallographica Section B, 2023, 79 (1), 1–2. doi: 10.1107/S2052520623000203 IF 4.933
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13 January 2023 Prospective oxygen-ion conductors LnaXbOz: Geometry and energy calculations.
Natalya A. Kabanova, Yelizaveta A. Morkhova, Alexander V. Antonyuk, Eugeny I. Frolov Prospective oxygen-ion conductors LnaXbOz: Geometry and energy calculations. Solid State Ionics, 2023, 391, 116142. doi: 10.1016/j.ssi.2022.116142 IF 3.699
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28 December 2022 Magnocolumbites Mg1–xMxNb2O6−δ (x = 0, 0.1, and 0.2; M = Li and Cu) as New Oxygen Ion Conductors: Theoretical Assessment and Experiment.
Yelizaveta A. Morkhova, Mariia S. Koroleva, Anastasia V. Egorova, Andrey A. Pimenov, Aleksei G. Krasnov, Boris A. Makeev, Vladislav A. Blatov, and Artem A. Kabanov Magnocolumbites Mg1–xMxNb2O6−δ (x = 0, 0.1, and 0.2; M = Li and Cu) as New Oxygen Ion Conductors: Theoretical Assessment and Experiment. The Journal of Physical Chemistry C, 2023, 127 (1), 52–58. doi: 10.1021/acs.jpcc.2c06631 IF 4.177
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4 November 2022 Understanding Your Support System: The Design of a Stable Metal–Organic Framework/Polyazoamine Support for Biomass Conversion.
Vikram V. Karve, Nadezhda A. Nekrasova, Mehrdad Asgari, Olga Trukhina, Ilia V. Kochetygov, Hassan Abedini, Shuliang Yang, Eugeny V. Alexandrov, Jeremy S. Luterbacher, Wendy L. Queen Understanding Your Support System: The Design of a Stable Metal–Organic Framework/Polyazoamine Support for Biomass Conversion. Chemistry of Materials, 2022, 34 (22), 9854–9864. doi: 10.1021/acs.chemmater.2c01731 IF 10.508
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1 October 2022 Janus structures of SMoSe and SVSe compositions with low enthalpy and unusual crystal chemistry.
P. Gavryushkin, N. Sagatov, E. Sukhanova, I. Medrish and Z. Popov Janus structures of SMoSe and SVSe compositions with low enthalpy and unusual crystal chemistry. Journal of Applied Crystallography, 2022, 55 (5), 1324–1335. doi: 10.1107/S1600576722008202 IF 4.475
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25 July 2022 Adsorption Properties and Gas Chromatographic Application of a Composite Surface-layer Sorbent with Terephthalic Acid-Based Metal-Organic Framework.
Lyudmila A. Onuchak, Kirill A. Kopytin, Yuliya G. Kuraeva, Mikhail Yu. Pariichuk, Yuliya V. Martina, Nikolai A. Vinogradov, Eugeny V. Alexandrov Adsorption Properties and Gas Chromatographic Application of a Composite Surface-layer Sorbent with Terephthalic Acid-Based Metal-Organic Framework. Journal of Chromatography A, 2022, 1679, 463373. doi: 10.1016/j.chroma.2022.463373 IF 4.601
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23 June 2022 Chiral Motifs in Highly Interpenetrated Metal-Organic Frameworks Formed from Achiral Tetrahedral Ligands.
Qiang Wen, Maria Chiara di Gregorio, Linda Shimon, Iddo Pinkas, Naveen Malik, Anna Kossoy, Eugeny Alexandrov, Davide M. Proserpio, Michal Lahav, Milko Erik van der Boom Chiral Motifs in Highly Interpenetrated Metal-Organic Frameworks Formed from Achiral Tetrahedral Ligands. Chemistry – A European Journal, 2022, 28 (54), e202201108. doi: 10.1002/chem.202201108 IF 5.020
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10 June 2022 Generating triply periodic surfaces from crystal structures: the tiling approach and its application to zeolites.
M. I. Smolkov, O. A. Blatova, A. F. Krutov and V. A. Blatov Generating triply periodic surfaces from crystal structures: the tiling approach and its application to zeolites. Acta Crystallographica Section A, 2022, 78 (4), 327–336. doi: 10.1107/S2053273322004545 IF 2.290
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7 June 2022 Hybrid DFT/Data-Driven Approach for Searching for New Quasicrystal Approximants in Sc-X (X = Rh, Pd, Ir, Pt) Systems.
Roman A. Eremin, Innokentiy S. Humonen, Pavel N. Zolotarev, Inna V. Medrish, Leonid E. Zhukov, and Semen A. Budennyy Hybrid DFT/Data-Driven Approach for Searching for New Quasicrystal Approximants in Sc-X (X = Rh, Pd, Ir, Pt) Systems. Crystal Growth & Design, 2022, 22 (7), 4570–4581. doi: 10.1021/acs.cgd.2c00463 IF 4.076
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2 June 2022 Mechanism of Conductivity in the Rare Earth Layered Ln2MoO6 (Ln = La, Pr, and Nd) Oxymolybdates: Theoretical and Experimental Investigations.
Ekaterina I. Orlova, Yelizaveta A. Morkhova, Anastasia V. Egorova, Elena P. Kharitonova, Nikolay V. Lyskov, Valentina I. Voronkova, Artem A. Kabanov, Alexey A. Veligzhanin, and Natalia A. Kabanova Mechanism of Conductivity in the Rare Earth Layered Ln2MoO6 (Ln = La, Pr, and Nd) Oxymolybdates: Theoretical and Experimental Investigations. The Journal of Physical Chemistry C, 2022, 126 (23), 9623–9633. doi: 10.1021/acs.jpcc.2c01837 IF 4.126
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6 May 2022 Mining Knowledge from Crystal Structures: Oxidation States of Oxygen-Coordinated Metal Atoms in Ionic and Coordination Compounds.
Alexander P. Shevchenko, Michail I. Smolkov, Junjie Wang, and Vladislav A. Blatov Mining Knowledge from Crystal Structures: Oxidation States of Oxygen-Coordinated Metal Atoms in Ionic and Coordination Compounds. Journal of Chemical Information and Modeling, 2022, 62 (10), 2332–2340. doi: 10.1021/acs.jcim.2c00080 IF 4.956
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1 April 2022 Metal-organic frameworks as the basis for new-generation functional materials.
Gorbunova Yu. G., Fedin V. P. and Blatov V. A. Metal-organic frameworks as the basis for new-generation functional materials. Russian Chemical Reviews, 2022, 91(4), 5050. doi: 10.1070/RCR5050 IF 6.926
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1 April 2022 Topological methods for analysis and design of coordination polymers.
Eugeny V. Alexandrov, Alexander P. Shevchenko, Nadezhda A. Nekrasova and Vladislav A. Blatov Topological methods for analysis and design of coordination polymers. Russian Chemical Reviews, 2022, 91(4), 5032. doi: 10.1070/RCR5032 IF 6.926
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21 March 2022 Topological transformations in metal–organic frameworks: a prospective design route?.
Eugeny V. Alexandrov, Yumin Yang, Lili Liang, Junjie Wang and Vladislav A. Blatov Topological transformations in metal–organic frameworks: a prospective design route? CrystEngComm, 2022, 24 (16), 2914–2924. doi: 10.1039/D2CE00264G IF 3.545
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14 March 2022 Structural Features and the Li-Ion Diffusion Mechanism in Tantalum-Doped Li7La3Zr2O12 Solid Electrolytes.
Evgeniya Ilina, Efim Lyalin, Maxim Vlasov, Artem Kabanov, Kirill Okhotnikov, Elena Sherstobitova, and Mirijam Zobel Structural Features and the Li-Ion Diffusion Mechanism in Tantalum-Doped Li7La3Zr2O12 Solid Electrolytes. ACS Applied Energy Materials, 2022, 5 (3), 2959–2967. https://doi.org/10.1021/acsaem.1c03632 IF 6.024
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4 March 2022 Design and Synthesis of Coordination Polymers with Cu(II) and Heterocyclic N-Oxides.
Andrey V. Sokolov, Anna V. V. Vologzhanina, Tatyana V. Sudakova, Yulia V. Popova and Eugeny V. Alexandrov Design and Synthesis of Coordination Polymers with Cu(II) and Heterocyclic N-Oxides. CrystEngComm, 2022, 24 (13), 2505–2515. doi: 10.1039/D2CE00139J IF 3.545
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15 February 2022 Effect of transition metal cations on the local structure and lithium transport in disordered rock-salt oxides.
D. Semykina, Y. A. Morkhova, A. A. Kabanov, K. Mishchenko, A. Slobodyuk, M. Kirsanova, O. A. Podgornova, A. Shindrov, K. Okhotnikov and N. V. Kosova Effect of transition metal cations on the local structure and lithium transport in disordered rock-salt oxides. Physical Chemistry Chemical Physics, 2022, 24 (10), 5823–5832. doi: 10.1039/D1CP04993C IF 3.676
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1 February 2022 The role of local heteropolyhedral substitutions in the stoichiometry, topological characteristics and ion-migration paths in the eudialyte-related structures: a quantitative analysis.
S. M. Aksenov, N. A. Kabanova, N. V. Chukanov, T. L. Panikorovskii, V. A. Blatov and S. V. Krivovichev The role of local heteropolyhedral substitutions in the stoichiometry, topological characteristics and ion-migration paths in the eudialyte-related structures: a quantitative analysis. Acta Crystallographica Section B, 2022, 78 (1), 80–90. doi: 10.1107/S2052520621010015 IF 4.711
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25 January 2022 Morphotropism in fumarolic mineral-related anhydrous sulfates: novel representatives in A+2M2+(SO4)2 and A+2M2+2(SO4)3 series.
O. I. Siidra, D. Nekrasova, O. Blatova, M. Colmont, O. Mentré and D. Charkin Morphotropism in fumarolic mineral-related anhydrous sulfates: novel representatives in A+2M2+(SO4)2 and A+2M2+2(SO4)3 series. Acta Crystallographica Section B, 2022, 78 (2), 153–161. doi.: 10.1107/S2052520622000919 IF 4.711
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19 January 2022 Discovery of Electrides in Electron-Rich Non-Electride Materials via Energy Modification of Interstitial Electrons.
Kun Li, Vladislav A. Blatov, Junjie Wang Discovery of Electrides in Electron-Rich Non-Electride Materials via Energy Modification of Interstitial Electrons. Advanced Functional Materials, 2022, 32 (17), 2112198. doi: 10.1002/adfm.202112198 IF 18.808
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7 December 2021 Metallization-Prompted Robust Porphyrin-Based Hydrogen-Bonded Organic Frameworks for Photocatalytic CO2 Reduction.
Qi Yin,Eugeny V. Alexandrov, Duan-Hui Si, Qian-Qian Huang, Zhi-Bin Fang, Yuan Zhang, An-An Zhang, Wei-Kang Qin, Yu-Lin Li, Tian-Fu Liu, Davide M. Proserpio Metallization-Prompted Robust Porphyrin-Based Hydrogen-Bonded Organic Frameworks for Photocatalytic CO2 Reduction. Angewandte Chemie2022, 61 (6), e202115854. doi:10.1002/anie.202115854 IF 15.336
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2 December 2021 The nyerereite crystal structure: a possible messenger from the deep Earth.
Azzurra Zucchin, Pavel N. Gavryushkin, Alexander V. Golovin, Nadezhda B. Bolotina, Paola Stabile, Michael Robert Carroll, Paola Comodi, Francesco Frondini, Daniele Morgavi, Diego Perugini, Fabio Arzilli, Marco Cherin, Emmanuel Kazimoto, Konstantin Kokh, Artem Kuznetsov, and Inna V. Medrish The nyerereite crystal structure: a possible messenger from the deep Earth. American Mineralogist, 2021, 2022, 107 (11), 2054–2064. doi: 10.2138/am-2022-8106 IF 3.003
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17 November 2021 Two robust Zn(II)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions.
Yu-Qiao Su, Ruo-Tong Wang, Olga A. Blatova, Yong-Sheng Shi and Guang-Hua Cui Two robust Zn(II)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions. CrystEngComm, 2022, 24 (1), 182–191. doi: 10.1039/D1CE01447A IF 3.545
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30 October 2021 Oxygen ionic transport in LaInO3 and LaIn0.5Zn0.5O2.75 perovskites: Theory and experiment.
A. V. Egorova, Ye. A. Morkhova, A. A. Kabanov, K. G. Belova, I. E. Animitsa, V. A. Blatov, A. A. Pimenov, D. V. Korona Oxygen ionic transport in LaInO3 and LaIn0.5Zn0.5O2.75 perovskites: Theory and experiment. Solid State Ionics, 2021, 115790. doi: 10.1016/j.ssi.2021.115790 IF 3.785
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27 October 2021 Visualization and Quantification of Geometric Diversity in Metal–Organic Frameworks.
Thomas C. Nicholas, Eugeny V. Alexandrov, Vladislav A. Blatov, Alexander P. Shevchenko, Davide M. Proserpio, Andrew L. Goodwin, and Volker L. Deringer Visualization and Quantification of Geometric Diversity in Metal–Organic Frameworks. Chemistry of Materials, 2021, 33 (21), 8289–8300. doi: 10.1021/acs.chemmater.1c02439 IF 9.811
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21 October 2021 Design of MOFs with Absolute Structures: A Case Study.
Haoze Wang, Xiaokun Pei, Davide M. Proserpio, Omar M. Yaghi Design of MOFs with Absolute Structures: A Case Study. Israel Journal of Chemistry, 61 (11-12), 774–781. doi: 10.1002/ijch.202100102 IF 3.333
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2 September 2021 An Amino-Decorated Self-Catenated Metal–Organic Framework for Efficient Capture and Conversion of CO2.
Ting Zhou, Shuang Liu, Eugeny V. Alexandrov, Huadong Guo, Pan Gao, Shengyong Mi, Qijin Su, Xianmin Guo, and Ting Hu An Amino-Decorated Self-Catenated Metal–Organic Framework for Efficient Capture and Conversion of CO2. Crystal Growth & Design, 2021, 21 (10), 5724–5730. doi: 10.1021/acs.cgd.1c00564 IF 4.076
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6 August 2021 Computational Search for Novel Zn-Ion Conductors – A Crystallochemical, Bond Valence, and Density Functional Study.
Yelizaveta A. Morkhova, Manuel Rothenberger, Tilmann Leisegang, Stefan Adams, Vladislav A. Blatov, and Artem A. Kabanov Computational Search for Novel Zn-Ion Conductors – A Crystallochemical, Bond Valence, and Density Functional Study. The Journal of Physical Chemistry C, 2021, 125 (32), 17590–17599. doi: 10.1021/acs.jpcc.1c02984 IF 4.126
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15 July 2021 Designing All Graphdiyne Materials as Graphene Derivatives: Topologically Driven Modulation of Electronic Properties.
Patrick Serafini, Alberto Milani, Davide M. Proserpio, and Carlo S. Casari Designing All Graphdiyne Materials as Graphene Derivatives: Topologically Driven Modulation of Electronic Properties. The Journal of Physical Chemistry C, 2021, 125 (33), 18456–18466. doi: 10.1021/acs.jpcc.1c04238 IF 4.126
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12 July 2021 Relationships between Changes in Guest Ion Properties and in the Host Framework Topology in Ionic Coordination Polymers.
Pavel N. Zolotarev Relationships between Changes in Guest Ion Properties and in the Host Framework Topology in Ionic Coordination Polymers. Crystal Growth & Design, 2021, 21 (9), 4959–4970. doi: 10.1021/acs.cgd.1c00405 IF 4.076
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22 June 2021 The Different Story of π Bonds.
Marco Cappelletti, Mirko Leccese, Matteo Cococcioni, Davide M. Proserpio and Rocco Martinazzo The Different Story of π Bonds. Molecules, 2021, 26 (13), 3805. doi: 10.3390/molecules26133805 IF 3.589
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17 May 2021 B5N3 and B7N5 Monolayers with High Carrier Mobility and Excellent Optical Performance.
Jingcheng Qi, Shiyao Wang, Junjie Wang, Naoto Umezawa, Vladislav A. Blatov, and Hideo Hosono B5N3 and B7N5 Monolayers with High Carrier Mobility and Excellent Optical Performance. The Journal of Physical Chemistry Letters, 2021, 12 (20), 4823–4832. doi: 10.1021/acs.jpclett.1c00913 IF 6.71
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19 April 2021 Coordination Properties of Hydroxyisophthalic Acids: Topological Correlations, Synthesis, Structural Analysis, and Properties of New Complexes.
Andrey V. Sokolov, Anna V. Vologzhanina, Ekaterina D. Barabanova, Sergey Yu. Stefanovich, Pavel V. Dorovatovskii, Ilya V. Taydakov, Eugeny V. Alexandrov Coordination Properties of Hydroxyisophthalic Acids: Topological Correlations, Synthesis, Structural Analysis, and Properties of New Complexes. Chemistry - A European Journal, 2021, 27 (35), 9180. doi: 10.1002/chem.202100733 IF 4.857
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20 March 2021 Discovery of intrinsic two-dimensional antiferromagnets from transition-metal borides.
Shiyao Wang, Nanxi Miao, Kehe Su, Vladislav A. Blatov and Junjie Wang Discovery of intrinsic two-dimensional antiferromagnets from transition-metal borides. Nanoscale, 2021, 13 (17), 8254–8263. doi: 10.1039/D1NR01103K IF 6.895
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7 March 2021 High-Throughput Electron Diffraction Reveals a Hidden Novel Metal–Organic Framework for Electrocatalysis.
Meng Ge, Yanzhi Wang, Francesco Carraro, Weibin Liang, Morteza Roostaeinia, Samira Siahrostami, Davide M. Proserpio, Christian Doonan, Paolo Falcaro, Haoquan Zheng, Xiaodong Zou, Zhehao Huang High-Throughput Electron Diffraction Reveals a Hidden Novel Metal–Organic Framework for Electrocatalysis. Angewandte Chemie International Edition, 60 (20), 11391–11397. doi: 10.1002/anie.202016882 IF 12.959
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27 January 2021 High-throughput systematic topological generation of low-energy carbon allotropes.
Vladislav A. Blatov, Changhao Yang, Dingyi Tang, Qingfeng Zeng, Andrey A. Golov & Artem A. Kabanov High-throughput systematic topological generation of low-energy carbon allotropes. npj Computational Materials, 2021, 7, 15. doi:10.1038/s41524-021-00491-y IF 11.282
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10 December 2020 Metastable structures of CaCO3 and their role in transformation of calcite to aragonite and postaragonite.
Pavel N. Gavryushkin, Anatoly B. Belonoshko, Nursultan Sagatov, Dinara Sagatova, Elena Zhitova, Maria G. Krzhizhanovskaya, Aleksander Rečnik, Eugeny V. Alexandrov, Inna V. Medrish, Zakhar I. Popov, and Konstantin D. Litasov Metastable structures of CaCO3 and their role in transformation of calcite to aragonite and postaragonite. Crystal Growth and Design, 2021, 21, 1, 65–74. doi: 10.1021/acs.cgd.0c00589 IF 4.089
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18 November 2020 CrystalGrower: A Generic Computer Program for Monte Carlo Modelling of Crystal Growth.
Michael William Anderson, Adam R Hill, James T Gebbie, Pablo Cubillas, Mollie Trueman, Nathan de Bruyn, Zulaikha al Harthi, Rachel Pooley, Martin Attfield, Vladislav A. Blatov, Davide M Proserpio, Julian Gale, Duncan Akporiaye and Bjørnar Arstad CrystalGrower: A Generic Computer Program for Monte Carlo Modelling of Crystal Growth. Chemical Science, 2021, 12 (3), 1126–1146. doi: 10.1039/D0SC05017B IF 9.346
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29 October 2020 Size-Selective Urea-Containing Metal–Organic Frameworks as Receptors for Anions.
Leili Esrafili, Ali Morsali, Mao-Lin Hu, Alireza Azhdari Tehrani, Lucia Carlucci, Pierluigi Mercandelli, and Davide M. Proserpio Size-Selective Urea-Containing Metal–Organic Frameworks as Receptors for Anions. Inorganic Chemistry, 2020, 59 (22), 16421–16429. doi: 10.1021/acs.inorgchem.0c02215 IF 4.825
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21 October 2020 Sorption of multivalent cations on titanosilicate obtained from natural raw materials. The mechanism and thermodynamics of sorption.
Igor А. Perovskiy, Nataliya Y. Yanicheva, Valery V. Stalyugin, Taras L. Panikorovskii, Andrey A. Golov Sorption of multivalent cations on titanosilicate obtained from natural raw materials. The mechanism and thermodynamics of sorption. Microporous and Mesoporous Materials, 2021, 311, 110716. doi: 10.1016/j.micromeso.2020.110716 IF 4.551
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17 September 2020 On the Influence of Solvent Properties on the Structural Characteristics of Molecular Crystal Polymorphs.
Pavel N. Zolotarev and Nadezhda A. Nekrasova On the Influence of Solvent Properties on the Structural Characteristics of Molecular Crystal Polymorphs. Crystal Growth & Design, 2020, 20 (11), 7152–7162. doi: 10.1021/acs.cgd.0c00753 IF 4.089
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6 September 2020 From Simple to Complex: Design of Inorganic Crystal Structures with a Topologically Extended Zintl–Klemm Concept.
Inna V. Medrish, Roman A. Eremin, and Vladislav A. Blatov From Simple to Complex: Design of Inorganic Crystal Structures with a Topologically Extended Zintl–Klemm Concept. Journal of Physical Chemistry Letters, 2020, 11 (19), 8114–8120. doi:10.1021/acs.jpclett.0c02468 IF 6.71
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18 August 2020 Theoretical and experimental study of reversible intercalation of Li ions in the Jarosite NaFe3(SO4)2(OH)6 structure.
Nina V. Kosova, Alexander A. Shindrov, Artem A. Kabanov Theoretical and experimental study of reversible intercalation of Li ions in the Jarosite NaFe3(SO4)2(OH)6 structure. Electrochimica Acta, 2020, 359, 136950. doi:10.1016/j.electacta.2020.136950 IF 6.215
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21 July 2020 Combined DFT and geometrical–topological analysis of Li-ion conductivity in complex hydrides.
Valerio Gulino, Anna Wolczyk, Andrey A. Golov, Roman A. Eremin, Mauro Palumbo, Carlo Nervi, Vladislav A. Blatov, Davide M. Proserpio and Marcello Baricco Combined DFT and geometrical–topological analysis of Li-ion conductivity in complex hydrides. Inorganic Chemistry Frontiers, 2020, 7 (17), 3115–3125. doi: 10.1039/D0QI00577K IF 5.934
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16 July 2020 Topology versus porosity: what can reticular chemistry tell us about free space in metal-organic frameworks?.
Alexander P. Shevchenko, Eugeny V. Alexandrov, Andrey A. Golov, Olga A. Blatova, Alexandra S. Duyunova and Vladislav A. Blatov Topology versus porosity: what can reticular chemistry tell us about free space in metal-organic frameworks? Chemical Communications, 2020, 56 (67), 9616-9619. doi: 10.1039/D0CC04004E IF 6.164
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26 June 2020 Pyroelectrically-driven chemical reactions described by a novel thermodynamic cycle.
Mateo U. de Vivanco, Matthias Zschornak, Hartmut Stöcker, Sven Jachalke, Erik Mehner, Tilmann Leisegang and Dirk C. Meyer Pyroelectrically-driven chemical reactions described by a novel thermodynamic cycle. Physical Chemistry Chemical Physics, 2020, 22 (32), 17781–17790. doi: 10.1039/D0CP01288B IF 3.567
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25 June 2020 Crystal structure and migration paths of alkaline ions in NaVPO4F.
D. Semykina, I. Yakovlev, O. B. Lapina, A. A. Kabanov and N. V. Kosova Crystal structure and migration paths of alkaline ions in NaVPO4F. Physical Chemistry Chemical Physics, 2020, 22 (28), 15876–15884. doi: 10.1039/D0CP02204G IF 3.567
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4 June 2020 Hierarchically Structured Allotropes of Phosphorus from Data‐Driven Exploration.
Volker L. Deringer, Chris J. Pickard, and Davide M. Proserpio Hierarchically Structured Allotropes of Phosphorus from Data‐Driven Exploration. Angewandte Chemie International Edition, 2020, 59 (37), 15880–15885. doi: 10.1002/anie.202005031 IF 12.959
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15 May 2020 Structure variations within RSi2 and R2Si3 silicides. Part II. Structure driving factors.
M. Nentwich, M. Zschornak, M. Sonntag, R. Gumeniuk, S. Gemming, T. Leisegang and D. C. Meyer Structure variations within RSi2 and R2Si3 silicides. Part II. Structure driving factors . Acta Crystallographica Section B, 2020, 76 (3), 378–410. doi: 10.1107/S2052520620003893 IF 6.732
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8 May 2020 Nanoporous materials with predicted zeolite topologies.
Vladislav A. Blatov, Olga A. Blatova, Frits Daeyaert and Michael W. Deem Nanoporous materials with predicted zeolite topologies. RSC Advances, 2020, 10, 17760–17767. doi: 10.1039/D0RA01888K IF 3.168
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1 May 2020 Isotopy classes for 3-periodic net embeddings.
S. C. Power, I. A. Baburin and D. M. Proserpio Isotopy classes for 3-periodic net embeddings. Acta Crystallographica Section A, 2020, 76 (3), 275–301. doi: 10.1107/S2053273320000625 IF 4.647
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28 April 2020 A New Group of Edge-transitive 3-Periodic Nets and Their Derived Nets for Reticular Chemistry.
Mian Li, Michael O’Keeffe, Davide M. Proserpio, and Hai-Feng Zhang A New Group of Edge-transitive 3-Periodic Nets and Their Derived Nets for Reticular Chemistry. Crystal Growth & Design, 2020, 20 (6), 4062–4068. doi: 10.1021/acs.cgd.0c00275 IF 4.089
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23 April 2020 Solid-State 1D → 3D Transformation of Polynitrile-Based Coordination Polymers by Dehydration Reaction.
Artem O. Dmitrienko, Michail I. Buzin, Zouaoui Setifi, Fatima Setifi, Eugeny V. Alexandrov, Eugenia D. Voronova and Anna V. V. Vologzhanina Solid-State 1D → 3D Transformation of Polynitrile-Based Coordination Polymers by Dehydration Reaction. Dalton Transactions, 2020, 49 (21), 7084–7092. doi: 10.1039/D0DT00917B IF 4.052
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14 April 2020 X-ray diffraction using focused-ion-beam-prepared single crystals.
Tina Weigel, Claudia Funke, Matthias Zschornak, Thomas Behm, Hartmut Stöcker, Tilmann Leisegang and Dirk C. Meyer X-ray diffraction using focused-ion-beam-prepared single crystals. Journal of Applied Crystallography, 2020, 2020, 53 (3), 614–622. doi: 10.1107/S1600576720003143 IF 3.527
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2 April 2020 The CSD and knowledge databases: from answers to questions.
Alexander P. Shevchenko, Roman A. Eremin and Vladislav A. Blatov The CSD and knowledge databases: from answers to questions. CrystEngCom, 2020, 22 (43), 7298–7307. doi: 10.1039/D0CE00265H IF 3.382
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1 April 2020 Structure variations within RSi2 and R2TSi3 silicides. Part I. Structure overview.
M. Nentwich, M. Zschornak, M. Sonntag, R. Gumeniuk, S. Gemming, T. Leisegang and D. C. Meyer Structure variations within RSi2 and R2TSi3 silicides. Part I. Structure overview. Acta Crystallographica Section B, 2020, 76 (2), 177–200. doi: 10.1107/S2052520620001043 IF 6.732
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26 March 2020 Record Complexity in the Polycatenation of Three Porous Hydrogen-Bonded Organic Frameworks with Stepwise Adsorption Behaviors.
Yu-Lin Li, Eugeny V. Alexandrov, Qi Yin, Lan Li, Zhi-Bin Fang, Wenbing Yuan, Davide M. Proserpio, Tian-Fu Liu Record Complexity in the Polycatenation of Three Porous Hydrogen-Bonded Organic Frameworks with Stepwise Adsorption Behaviors. Journal of the American Chemical Society, 2020, 142 (15), 7218–7224. doi: 10.1021/jacs.0c02406 IF 14.695
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16 January 2020 A Porous Covalent Organic Framework with Voided Square Grid Topology for Atmospheric Water Harvesting.
Ha L. Nguyen, Nikita Hanikel, Steven J. Lyle, Chenhui Zhu, Davide M. Proserpio, Omar M. Yaghi A Porous Covalent Organic Framework with Voided Square Grid Topology for Atmospheric Water Harvesting. Journal of the American Chemical Society, 2020, 142 (5), 2218–2221. doi: 10.1021/jacs.9b13094 IF 14.695
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15 January 2020 A new quasicrystal approximant in the Sc–Pd system: from topological data mining to the bench.
Pavlo Solokha, Roman A. Eremin, Tilmann Leisegang, Davide M. Proserpio, Tatiana Akhmetshina, Albina Gurskaya, Adriana Saccone, Serena De Negri A new quasicrystal approximant in the Sc–Pd system: from topological data mining to the bench. Chemistry of Materials, 2020, 32 (3), 1064–1079. doi: 10.1021/acs.chemmater.9b03767 IF 10.159
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9 January 2020 Crystal structure of NaFeO2 and NaAlO2 and their correlation with ionic conductivity.
Proskurnina N.V., Voronin V.I., Shekhtman G.S., Kabanova N. A. Crystal structure of NaFeO2 and NaAlO2 and their correlation with ionic conductivity. Ionics, 2020, 26 (6), 2917–2926. doi:10.1007/s11581-019-03387-6 IF 2.289
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19 December 2019 Perceiving Zeolite Self-Assembly: a Combined Top-Down and Bottom-Up Approach within the Tiling Model.
Andrey A. Golov, Olga A. Blatova, Vladislav A. Blatov Perceiving Zeolite Self-Assembly: a Combined Top-Down and Bottom-Up Approach within the Tiling Model. The Journal of Physical Chemistry C, 2020, 124, 2, 1523-1528. doi: 10.1021/acs.jpcc.9b10514 IF 4.309
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10 December 2019 A Breathing Metal-Organic Framework Based on Flexible Inorganic Building Units.
Erik Svensson, Grape Hongyi Xu,Ocean Cheung, Marion Calmels, Jingjing Zhao, Catherine Dejoie, Davide M. Proserpio, Xiaodong Zou, A. Ken Inge A Breathing Metal-Organic Framework Based on Flexible Inorganic Building Units. Crystal Growth & Design, 2020, 20 (1), 320-329. doi: 10.1021/acs.cgd.9b01266 IF 3.972
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18 November 2019 Ionic Transport in Doped Solid Electrolytes by Means of DFT Modeling and ML Approaches: A Case Study of Ti-Doped KFeO2.
Roman A. Eremin, Pavel N. Zolotarev, Andrey A. Golov, Nadezhda A. Nekrasova, Tilmann Leisegang Ionic Transport in Doped Solid Electrolytes by Means of DFT Modeling and ML Approaches: A Case Study of Ti-Doped KFeO2. The Journal of Physical Chemistry C, 2019. doi: 10.1021/acs.jpcc.9b07535 IF 4.484
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7 October 2019 A universal algorithm for finding the shortest distance between systems of points.
I. A. Blatov, E. V. Kitaeva, A. P. Shevchenko and V. A. Blatov A universal algorithm for finding the shortest distance between systems of points. Acta Crystallographica Section A, 2019, 75 (6), 827-832. doi:10.1107/S2053273319011628 IF 4.647
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23 September 2019 Anisotropy of Elastic Properties of Metal–Organic Frameworks and the Breathing Phenomenon.
Eugeny V. Alexandrov, Andrey V. Goltsev, Roman A. Eremin, Vladislav A. Blatov Anisotropy of Elastic Properties of Metal–Organic Frameworks and the Breathing Phenomenon. The Journal of Physical Chemistry C, 2019, 123, 40, 24651-24658. doi: 10.1021/acs.jpcc.9b08434 IF 4.484
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9 September 2019 Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds.
Shalisa M. Oburn, Michael A. Sinnwell, Devin P. Ericson, Eric W. Reinheimer, Davide M. Proserpio, Ryan H. Groeneman and Leonard MacGillivray Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds. IUCrJ, 2019, 6. doi: 10.1107/S2052252519011382 IF 5.434
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3 September 2019 Predicting superhard materials via a machine learning informed evolutionary structure search.
Patrick Avery, Xiaoyu Wang, Corey Oses, Eric Gossett, Davide M. Proserpio, Cormac Toher, Stefano Curtarolo and Eva Zurek Predicting superhard materials via a machine learning informed evolutionary structure search. Computational Materials (Nature Partner Journals), 2019, 5, 89. doi: 10.1038/s41524-019-0226-8 IF 9.651
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4 August 2019 Diverse π–π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal–organic frameworks.
Lilia Xie, Eugeny V. Alexandrov, Grigorii Skorupskii, Davide M Proserpio and Mircea Dinca Diverse π–π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal–organic frameworks. Chemical Science, 2019, 10 (37), 8558-8565. doi:10.1039/C9SC03348C IF 9.556
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25 July 2019 Two Novel Self-Catenated Metal-Organic Frameworks with Large Accessible Channels Obtained by Mixed-Ligand Strategy: Adsorption of Dichromate and Ln3+-Post Synthetic Modification.
Yingying Sun, Ruidan Ma, Fengyuan Wang, Xianmin Guo, Shaowen Sun, Huadong Guo, Eugeny V. Alexandrov Two Novel Self-Catenated Metal-Organic Frameworks with Large Accessible Channels Obtained by Mixed-Ligand Strategy: Adsorption of Dichromate and Ln3+-Post Synthetic Modification. Crystal Growth & Design, 2019, 19 (9),5267–5274. doi: 10.1021/acs.cgd.9b00657 IF 3.972
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27 June 2019 Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.
Xuanfeng Jiang, Xunzhe Cui, Andrew J. E. Duncan, Liang Li, Russell P. Hughes, Richard J. Staples, Eugeny V. Alexandrov, Davide M. Proserpio, Yuyang Wu, Chenfeng Ke Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. Journal of the American Chemical Society, 2019, 141 (27),10915–10923. doi: 10.1021/jacs.9b05232 IF 14.695
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19 June 2019 Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene and benzene-1,3,5-tricarboxylate ligands.
Y.-Q. Zhang, V. A. Blatov, X.-X. Lv, D.-Y. Tang, L.-L. Qian, K. Li and B.-L. Li Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene and benzene-1,3,5-tricarboxylate ligands. Acta Crystallographica Section C, 2019, 75, 960-968. doi:10.1107/S205322961900826X IF 4.36
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3 June 2019 A New sp2-sp3-Hybridized Metallic Carbon Network for Lithium-ion Battery Anode with Enhanced Safety and Lithium-ion Diffusion Rate.
Dong Fan, Andrey A. Golov, Artem A. Kabanov, Chengke Chen, Shaohua Lu, Xiao Li, Meiyan Jiang, Xiaojun Hu A New sp2-sp3-Hybridized Metallic Carbon Network for Lithium-ion Battery Anode with Enhanced Safety and Lithium-ion Diffusion Rate. The Journal of Physical Chemistry C, 2019, 123 (25),15412–15418. doi: 10.1021/acs.jpcc.9b02034 IF 4.484
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1 May 2019 The Aluminum-Ion Battery: A Sustainable and Seminal Concept?.
Tilmann Leisegang, Falk Meutzner, Matthias Zschornak, Wolfram Münchgesang, Robert Schmid, Tina Nestler, Roman A. Eremin, Artem A. Kabanov, Vladislav A. Blatov and Dirk C. Meyer The Aluminum-Ion Battery: A Sustainable and Seminal Concept? Frontier in Chemistry, 2019. doi: 10.3389/fchem.2019.00268 IF 4.155
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23 April 2019 Sulphur‐ and selenium‐containing compounds potentially exhibiting Al‐ion conductivity.
F. Meutzner, M. Zschornak, A. Kabanov, T. Nestler, T. Leisegang, V. A. Blatov, D. C. Meyer Sulphur‐ and selenium‐containing compounds potentially exhibiting Al‐ion conductivity. Chemistry – A European Journal, 2019, 25 (36), 8623–8629. doi: 10.1002/chem.201901438 IF 5.160
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18 April 2019 Novel Heterometallic Uranyl-Transition Metal Materials: Structure, Topology, and Solid State Photoluminescence Properties.
Germán E. Gomez, J. August Ridenour, Nicole M. Byrne, Alexander P. Shevchenko, and Christopher L. Cahill Novel Heterometallic Uranyl-Transition Metal Materials: Structure, Topology, and Solid State Photoluminescence Properties. Inorganic Chemistry, 2019, 58, 11, 7243-7254. doi: 10.1021/acs.inorgchem.9b00255 IF 4.700
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12 April 2019 Network topological model of reconstructive solid-state transformations.
Vladislav A. Blatov, Andrey A. Golov, Changhao Yang, Qingfeng Zeng & Artem A. Kabanov Network topological model of reconstructive solid-state transformations. Scientific Reports, 2019, 9. doi:10.1038/s41598-019-42483-5 IF 4.122
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12 April 2019 Sonochemical synthesis and characterization of four nanostructural nickel coordination polymers and photocatalytic degradation of methylene blue.
Lin-Lu Qian, Vladislav A. Blatov, Zhi-Xiang Wang, Jian-Gang Ding, Li-Ming Zhu, Ke Li, Bao-Long Li, Bing Wu Sonochemical synthesis and characterization of four nanostructural nickel coordination polymers and photocatalytic degradation of methylene blue. Ultrasonics Sonochemistry, 2019, 56, 213-228. doi: 10.1016/j.ultsonch.2019.04.015 IF 6.12
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2 April 2019 Topological databases: why do we need them for design of coordination polymers?.
Eugeny V. Alexandrov, Alexander Shevchenko, and Vladislav A. Blatov Topological databases: why do we need them for design of coordination polymers? Crystal Growth & Design, 2019, 19 (5), 2604–2614. doi: 10.1021/acs.cgd.8b01721 IF 3.972
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22 March 2019 Variation of Topologies and Entanglements in Metal-Organic Frameworks with mixed tris[4-(1H-imidazol-1-yl)phenyl]phosphine oxide and dicarboxylate ligands.
Yingying Sun, Xiaojie Chen, Fengyuan Wang, Ruidan Ma, Xianmin Guo, Shaowen Sun, Huadong Guo and Eugeny V. Alexandrov Variation of Topologies and Entanglements in Metal-Organic Frameworks with mixed tris[4-(1H-imidazol-1-yl)phenyl]phosphine oxide and dicarboxylate ligands. Dalton Transactions, 2019, 48 (16), 5450-5458. doi:10.1039/C9DT00249A IF 4.099
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15 March 2019 Ab initio modeling of oxygen ion migration in non-stoichiometric bismuth titanate pyrochlore Bi1.5Ti2O6.25.
A.G. Krasnov, A.A. Kabanov, N.A. Kabanova, I.V. Piir, I.R. Shein Ab initio modeling of oxygen ion migration in non-stoichiometric bismuth titanate pyrochlore Bi1.5Ti2O6.25. Solid State Ionics, 2019, 335, 135-141. doi: 10.1016/j.ssi.2019.02.023 IF 2.751
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20 January 2019 A combined theoretical approach for identifying battery materials: Al3+ mobility in oxides.
T. Nestler, F. Meutzner, A.A. Kabanov, M. Zschornak, T. Leisegang, and D.C. Meyer A combined theoretical approach for identifying battery materials: Al3+ mobility in oxides. Chemistry of Materials, 2019, 31 (3), 737–747. doi: 10.1021/acs.chemmater.8b03631 IF 9.890
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20 October 2018 High-throughput search for potential potassium ion conductors: A combination of geometrical-topological and density functional theory approaches.
R.A.Eremin, N.A.Kabanova, Ye.A.Morkhova, A.A.Golov, V.A.Blatov High-throughput search for potential potassium ion conductors: A combination of geometrical-topological and density functional theory approaches. Solid State Ionics, 2018, 326, 188-199. doi: 10.1016/j.ssi.2018.10.009 IF 2.751
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17 October 2018 Topology-based crystal structure generator.
Pavel V.Bushlanov, Vladislav A.Blatov, Artem R.Oganov Topology-based crystal structure generator. Computer Physics Communications, 2019, 236, 1-7. doi: 10.1016/j.cpc.2018.09.016 IF 3.748
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17 October 2018 Water-Stable Fluorinated Metal−Organic Frameworks (F-MOFs) with Hydrophobic Properties as Efficient and Highly Active Heterogeneous Catalysts in Aqueous Solution.
M. Joharian, A. Azhdari Tehrani, A. Morsali, L. Carlucci, D. M. Proserpio Water-Stable Fluorinated Metal−Organic Frameworks (F-MOFs) with Hydrophobic Properties as Efficient and Highly Active Heterogeneous Catalysts in Aqueous Solution. Green Chemistry, 2018, 20, 5336-5345. doi: 10.1039/C8GC02367K IF 8.586
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15 October 2018 Tailor‐Made Microporous Metal–Organic Frameworks for the Full Separation of Propane from Propylene Through Selective Size Exclusion.
Hao Wang, Xinglong Dong, Valentina Colombo, Qining Wang, Yanyao Liu, Wei Liu, Xin‐Long Wang, Xiao‐Ying Huang, Davide M. Proserpio, Angelo Sironi , Yu Han, Jing Li Tailor‐Made Microporous Metal–Organic Frameworks for the Full Separation of Propane from Propylene Through Selective Size Exclusion. Advanced Materials, 2018, 30 (49), e1805088. doi: 10.1002/adma.201805088 IF 21.950
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9 October 2018 Three Cationic Non-Porous CuI-Coordination Polymers: Structural Investigation and Vapor Iodine Capture.
Elham Baladi, Valiollah Nobakht, Abbas Tarassoli, Davide M. Proserpio, and Lucia Carlucci Three Cationic Non-Porous CuI-Coordination Polymers: Structural Investigation and Vapor Iodine Capture. Crystal Growth & Design, 2018, 18 (11), 7207-7218. doi: 10.1021/acs.cgd.8b01446 IF 3.972
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4 October 2018 Toward Engineering Chiral Rodlike Metal–Organic Frameworks with Rare Topologies.
Thais Grancha, Jesús Ferrando-Soria, Davide M. Proserpio, Donatella Armentano, and Emilio Pardo Toward Engineering Chiral Rodlike Metal–Organic Frameworks with Rare Topologies. Inorganic Chemistry, 2018, 57 (20), 12869–12875. doi: 10.1021/acs.inorgchem.8b02082 IF 4.700
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4 October 2018 Autoluminescent Metal-Organic Frameworks: Self-Photoemission of a Highly Stable Thorium MOF.
Jacopo Andreo, Emanuele Priola, Gabriele Alberto, Paola Benzi, Domenica Marabello, Davide M. Proserpio, Carlo Lamberti, and Eliano Diana Autoluminescent Metal-Organic Frameworks: Self-Photoemission of a Highly Stable Thorium MOF. Journal of the American Chemical Society, 2018, 140 (43), 14144-14149. doI: 10.1021/jacs.8b07113 IF 14.357
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20 September 2018 D-carbon: Ab initio study of a novel carbon allotrope.
Dong Fan, Shaohua Lu, Andrey A. Golov, Artem A. Kabanov and Xiaojun Hu D-carbon: Ab initio study of a novel carbon allotrope. The Journal of Chemical Physics, 2018, 149, 114702. doi: 10.1063/1.5037380 IF 2.843
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28 August 2018 Generating carbon schwarzites via zeolite-templating.
Efrem Braun, Yongjin Lee, Seyed Mohamad Moosavi, Senja Barthel, Rocio Mercado, Igor A. Baburin, Davide M. Proserpio, and Berend Smit Generating carbon schwarzites via zeolite-templating. Proceedings of the National Academy of Sciences, 2018, 115 (35), E8116-E8124. doi:10.1073/pnas.1805062115 IF 9.504
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7 May 2018 Deconstruction of Crystalline Networks into Underlying Nets: Relevance for Terminology Guidelines and Crystallographic Databases.
Charlotte Bonneau, Michael O'Keeffe, Davide M. Proserpio, Vladislav A. Blatov, Stuart R. Batten, Susan A. Bourne, Myoung Soo Lah, Jean-Guillaume Eon, Stephen T Hyde, Seth B. Wiggin, and Lars Ohrstrom Deconstruction of Crystalline Networks into Underlying Nets: Relevance for Terminology Guidelines and Crystallographic Databases. Crystal Growth & Design, 2018, 18 (6), 3411–3418. doi: 10.1021/acs.cgd.8b00126 IF 3.972
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1 May 2018 Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers.
Hao Wang, Xinglong Dong, Junzhong Lin, Simon J. Teat, Stephanie Jensen, Jeremy Cure, Eugeny V. Alexandrov, Qibin Xia, Kui Tan, Qining Wang, David H. Olson, Davide M. Proserpio, Yves J. Chabal, Timo Thonhauser, Junliang Sun, Yu Han & Jing Li Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers. Nature Communications, 2018, 9, 1745. doi: 10.1038/s41467-018-04152-5 IF 12.353
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12 April 2018 Data-driven learning and prediction of inorganic crystal structures.
Volker L. Deringer, Davide M. Proserpio, Gábor Csányi and Chris J. Pickard Data-driven learning and prediction of inorganic crystal structures. Faraday Discussions, 2018, 211, 45-59.
doi:10.1039/C8FD00034D IF 3.427
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4 April 2018 A luminescent zinc(II) coordination polymer with unusual (3,4,4)-coordinated self-catenated 3D network for selective detection of nitroaromatics and ferric and chromate ions: a versatile luminescent sensor.
Ya-Qian Zhang, Vladislav A. Blatov, Tian-Rui Zheng, Chang-Hao Yang, Lin-Lu Qian, Ke Li, Bao-Long Li and Bing Wu A luminescent zinc(II) coordination polymer with unusual (3,4,4)-coordinated self-catenated 3D network for selective detection of nitroaromatics and ferric and chromate ions: a versatile luminescent sensor. Dalton Transactions, 2018, 47, 6189-6198. doi:10.1039/C7DT04682K IF 4.099
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4 April 2018 Predicting new zeolites: a combination of thermodynamic and kinetic factors.
Ekaterina D. Kuznetsova, Olga A. Blatova and Vladislav A. Blatov Predicting new zeolites: a combination of thermodynamic and kinetic factors. Chemistry of Materials, 2018, 30 (8), 2829–2837. doi: 10.1021/acs.chemmater.8b00905 IF 9.890
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20 February 2018 Vacuum-Mediated Single-Crystal-to-Single-Crystal (SCSC) Transformation in Na-MOFs: Rare to Novel Topology and Activation of Nitrogen in Triazole Moieties.
Shagufi Naz Ansari, Sanjay K. Verma, Aleksandr A. Garin, and Shaikh M. Mobin Vacuum-Mediated Single-Crystal-to-Single-Crystal (SCSC) Transformation in Na-MOFs: Rare to Novel Topology and Activation of Nitrogen in Triazole Moieties.Crystal Growth & Design, 2018, 18 (3), 1287-1292. doi: 10.1021/acs.cgd.7b01753 IF 3.972
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25 January 2018 Distinguishing metal-organic frameworks.
Senja Barthel, Eugeny V. Alexandrov, Davide M. Proserpio and Berend Smit Distinguishing metal-organic frameworks. Crystal Growth & Design, 2018, 18 (3), 1738–1747. doi: 10.1021/acs.cgd.7b01663 IF 3.972
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23 January 2018 Structural diversity of six metal–organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes.
Siyu Liu, Mingming Guo, Huadong Guo, Yingying Sun, Xianmin Guo, Shaowen Suna and Eugeny V. Alexandrov Structural diversity of six metal–organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes. RSC Advances, 2018, 8, 4039-4048. doi:10.1039/C7RA11754J IF 3.096
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29 December 2017 Topology of Intermetallic Structures: From Statistics to Rational Design.
Tatiana G. Akhmetshina, Vladislav A. Blatov, Davide M. Proserpio, and Alexander P. Shevchenko Topology of Intermetallic Structures: From Statistics to Rational Design. Accounts of Chemical Research, 2018, 51 (1), 21–30. doi: 10.1021/acs.accounts.7b00466 IF 20.955
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30 November 2017 Li(Ni,Co,Al)O2 Cathode Delithiation: A Combination of Topological Analysis, Density Functional Theory, Neutron Diffraction and Machine Learning Techniques.
Roman A. Eremin, Pavel N. Zolotarev, Olga Yu. Ivanshina, and Ivan A. Bobrikov Li(Ni,Co,Al)O2 Cathode Delithiation: A Combination of Topological Analysis, Density Functional Theory, Neutron Diffraction and Machine Learning Techniques, The Journal of Physical Chemistry C, 2017, 121 (51), 28293–28305. doi: 10.1021/acs.jpcc.7b09760 IF 4.484
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16 November 2017 Crystallochemical tools in the search for cathode materials of rechargeable Na-ion batteries and analysis of their transport properties.
Stanislav S. Fedotov, Natalya A. Kabanova, Artem A. Kabanov, Vladislav A. Blatov, Nellie R. Khasanova, Evgeny V. Antipov Crystallochemical tools in the search for cathode materials of rechargeable Na-ion batteries and analysis of their transport properties. Solid State Ionics, 2018, 314, 129–140. doi: 10.1016/j.ssi.2017.11.008 IF 2.354
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17 October 2017 Packing topology in crystals of proteins and small molecules: a comparison.
Oliviero Carugo, Olga A. Blatova, Elena O. Medrish, Vladislav A. Blatov & Davide M. Proserpio Packing topology in crystals of proteins and small molecules: a comparison. Scientific Reports, 2017, 7. doi:10.1038/s41598-017-12699-4 IF 4.525
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21 September 2017 A Water-Stable Cl@Ag14 Cluster Based Metal−Organic Open Framework for Dichromate Trapping and Bacterial Inhibition.
Shan-Shan Zhang, Xin Wang, Hai-Feng Su, Lei Feng, Zhi Wang, Wen-Qiang Ding, Vladislav A. Blatov, Mohamedally Kurmoo, Chen-Ho Tung, Di Sun, and Lan-Sun Zheng A Water-Stable Cl@Ag14 Cluster Based Metal−Organic Open Framework for Dichromate Trapping and Bacterial Inhibition. Inorganic Chemistry, 2017, 56 (19), 11891–11899. doi: 10.1021/acs.inorgchem.7b01879 IF 4.700
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21 September 2017 A 3D Coordination Network Built from CuII4Cl3(H2O)2 Linear Clusters and Tetrapyridyl Tetrahedral Silane Ligands: Reversible Iodine Uptake and Friedel–Crafts Alkylation Reactions.
Mahesh S. Deshmukh, Atul Chaudhary, Pavel N. Zolotarev, and Ramamoorthy Boomishankar A 3D Coordination Network Built from CuII4Cl3(H2O)2 Linear Clusters and Tetrapyridyl Tetrahedral Silane Ligands: Reversible Iodine Uptake and Friedel–Crafts Alkylation Reactions. Inorganic Chemistry, 2017, 56 (19), 11762–11767. doi: 10.1021/acs.inorgchem.7b01781 IF 4.700
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18 September 2017 A new glance on the R2MGe6 (R = rare earth metal, M=another metal) compounds. An experimental and theoretical study of R2PdGe6 germanides.
Riccardo Freccero, Pavlo Solokha, Davide M Proserpio, Adriana Saccone and Serena De Negri A new glance on the R2MGe6 (R = rare earth metal, M=another metal) compounds. An experimental and theoretical study of R2PdGe6 germanides. Dalton Transactions, 2017, 40, 14021-14033. doi:10.1039/C7DT02686B IF 4.099
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11 September 2017 Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers.
A. Tarassoli, V. Nobakht, E. Baladi, L. Carlucci and D. M. Proserpio Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers, CrystEngComm, 2017, 41 (19), 6116–6126. doi: 10.1039/C7CE01193H IF 3.382
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11 September 2017 A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties.
Ke Li, Vladislav A. Blatov, Tao Fan, Tian-Rui Zheng, Ya-Qian Zhang, Bao-Long Li and Bing Wu A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties, CrystEngComm, 2017, 38 (19), 5797-5808. doi: 10.1039/C7CE01176H IF 3.382
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11 September 2017 Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling.
Natalia Vladimirovna Proskurnina, Vladimir I. Voronin, Georgi Sh. Shekhtman, Larisa Nikolaevna Maskaeva, Natalia A. Kabanova, Artem A. Kabanov, and Vladislav A. Blatov Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling. The Journal of Physical Chemistry C, 2017, 121 (39), 21128–21135. doi: 10.1021/acs.jpcc.7b05164 IF 4.484
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27 June 2017 Bonding analyses of unconventional carbon allotropes.
Marc Esser, Arina A. Esser, Davide M. Proserpio, Richard Dronskowski Bonding analyses of unconventional carbon allotropes. Carbon, 2017, 121, 154 – 162. doi:10.1016/j.carbon.2017.05.062 IF 7.466
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19 May 2017 Two Exceptional Patterns of Helical Secondary Building Units Found in Metal–Organic Framework Structures.
Eugeny V. Alexandrov, Andrey V. Goltsev, Michael O’Keeffe, and Davide M. Proserpio Two Exceptional Patterns of Helical Secondary Building Units Found in Metal–Organic Framework Structures. Crystal Growth & Design, 2017, 17 (6), 2941–2944. doi: 10.1021/acs.cgd.7b00430 IF 3.972
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27 April 2017 Predicting crystal growth via a unified kinetic three-dimensional partition model.
Michael W. Anderson, James T. Gebbie-Rayet, Adam R. Hill, Nani Farida, Martin P. Attfield, Pablo Cubillas, Vladislav A. Blatov, Davide M. Proserpio, Duncan Akporiaye, Bjørnar Arstad & Julian D. Gale Predicting crystal growth via a unified kinetic three-dimensional partition model. Nature, 2017, 544, 456–459. doi:10.1038/nature21684 IF 41.577
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19 April 2017 Extracting Crystal Chemistry from Amorphous Carbon Structures.
Volker L. Deringer, Gabor Csanyi, and Davide M. Proserpio Extracting Crystal Chemistry from Amorphous Carbon Structures. ChemPhysChem 2017, 18 (8), 873 – 877. doi: 10.1002/cphc.201700151 IF 3.075
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7 April 2017 Quantitative structure–Chromatographic retention correlations of quinoline derivatives.
Nadezhda A. Nekrasova, Svetlana V. Kurbatova Quantitative structure–Chromatographic retention correlations of quinoline derivatives. Journal of Chromatography A, 2017, 1492, 55–60. doi:10.1016/j.chroma.2017.02.063 IF 4.169
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5 April 2017 Self-Catenated Coordination Polymers Involving Bis-pyridyl-bis-amide.
Hsiu-Yi He, Chih-Hsun Hsu, Han-Yun Chang, Xiang-Kai Yang, Pradhumna Mahat Chhetri, Davide M. Proserpio, and Jhy-Der Chen Self-Catenated Coordination Polymers Involving Bis-pyridyl-bis-amide. Crystal Growth & Design, 2017, 17 (4), 1991–1998. doi: 10.1021/acs.cgd.7b00001 IF 3.972
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15 March 2017 How 2-periodic coordination networks are interweaved: entanglement isomerism and polymorphism.
Eugeny V. Alexandrov, Vladislav A. Blatov and Davide M. Proserpio How 2-periodic coordination networks are interweaved: entanglement isomerism and polymorphism. CrystEngComm, 2017, 19, 1993-2006. doi: 10.1039/C7CE00313G IF 3.382
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19 February 2017 Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries.
Stanislav S. Fedotov, Artem A. Kabanov, Natalia A. Kabanova, Vladislav A. Blatov, Andriy Zhugayevych, Artem M. Abakumov, Nellie R. Khasanova, and Evgeny V. Antipov Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries. The Journal of Physical Chemistry C, 2017, 121 (6), 3194–3202. doi: 10.1021/acs.jpcc.6b11027 IF 4.484
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16 February 2017 Urea Metal–Organic Frameworks for Nitro-Substituted Compounds Sensing.
Alireza Azhdari Tehrani, Leili Esrafili, Sedigheh Abedi, Ali Morsali, Lucia Carlucci, Davide M. Proserpio, Jun Wang, Peter C. Junk, and Tianfu Liu Urea Metal–Organic Frameworks for Nitro-Substituted Compounds Sensing. Inorganic Chemistry, 2017, 56 (3), 1446–1454. doi: 10.1021/acs.inorgchem.6b02518 IF 4.700
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6 February 2017 Local Coordination versus Overall Topology in Crystal Structures: Deriving Knowledge from Crystallographic Databases.
Alexander P. Shevchenko, Igor A. Blatov, Elena V. Kitaeva, and Vladislav A. Blatov Local Coordination versus Overall Topology in Crystal Structures: Deriving Knowledge from Crystallographic Databases. Crystal Growth & Design, 2017, 17 (2), 774–785. doi: 10.1021/acs.cgd.6b01630 IF 3.972
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3 November 2016 Knowledge-Based Approaches to H-Bonding Patterns in Heterocycle-1-Carbohydrazoneamides.
Anna V. Vologzhanina, Andrey V. Sokolov, Petr P. Purygin, Pavel N. Zolotarev and Vladislav A. Blatov Knowledge-Based Approaches to H-Bonding Patterns in Heterocycle-1-Carbohydrazoneamides. Crystal Growth & Design, 2016, 16 (11), 6354–6362. doi: 10.1021/acs.cgd.6b00990 IF 3.972
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26 October 2016 Chemical design of heterometallic coordination polymers based on {Cu(Me2mal)2} fragment.
Natalia Vyacheslavovna Gogoleva, Ekaterina N. Zorina-Tikhonova, Artem S. Bogomyakov, Nikolay N. Efimov, Eugeny V. Alexandrov, Elena A. Ugolkova, Mikhail A. Kiskin, Vadim V. Minin, Aleksey A. Sidorov, Vladimir M. Novotortsev, Igor L. Eremenko Chemical design of heterometallic coordination polymers based on {Cu(Me2mal)2} fragment. European Journal of Inorganic Chemistry, 2016, 2017 (3), 547–562. doi: 10.1002/ejic.201601047 IF 2.578
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22 August 2016 Homo Citans and Carbon Allotropes: For an Ethics of Citation.
Dr. Roald Hoffmann, Dr. Artyom A. Kabanov, Andrey A. Golov, and Prof. Davide M. Proserpio Homo Citans and Carbon Allotropes: For an Ethics of Citation. Angewandte Chemie International Edition, 2016, 55, 10962–10976. doi: 10.1002/anie.201600655 IF 12.257
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9 February 2016 Searching New Crystalline Substrates for OMBE: Topological and Energetic Aspects of Cleavable Organic Crystals.
Pavel N. Zolotarev, Massimo Moret, Silvia Rizzato, and Davide M. Proserpio Searching New Crystalline Substrates for OMBE: Topological and Energetic Aspects of Cleavable Organic Crystals. Crystal Growth & Design, 2016. doi: 10.1021/acs.cgd.5b01695 IF 3.972
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7 January 2016 An Unprecedented Densely Self-Catenated Metal−Organic Framework Containing Inclined Catenated Honeycomb-like Units with the Highest Topological Density among 4-Coordinated Nets.
Ju-Meng Hu, Vladislav A. Blatov, Baoyi Yu, Kristof Van Hecke and Guang Hua Cui An Unprecedented Densely Self-Catenated Metal−Organic Framework Containing Inclined Catenated Honeycomb-like Units with the Highest Topological Density among 4-Coordinated Nets. Dalton Transactions, 2016, 45, 2426–2429. doi: 10.1039/C5DT04679C IF 4.099
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9 November 2015 On the Way to New Possible Na-Ion Conductors: The Voronoi–Dirichlet Approach, Data Mining and Symmetry Considerations in Ternary Na Oxides.
Falk Meutzner, Dr. Wolfram Münchgesang, Natalya A. Kabanova, Dr. Matthias Zschornak, Dr. Tilmann Leisegang, Prof. Vladislav A. Blatov, Prof. Dirk C. Meyer On the Way to New Possible Na-Ion Conductors: The Voronoi–Dirichlet Approach, Data Mining and Symmetry Considerations in Ternary Na Oxides. Chemistry — A European Journal, 2015, 21 (46), 16601–16608. doi:10.1002/chem.201501975 IF 5.160
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27 October 2015 Topological Motifs in Cyanometallates: From Building Units to Three-Periodic Frameworks.
Eugeny V. Alexandrov, Alexander V. Virovets, Vladislav A. Blatov, and Eugenia V. Peresypkina Topological Motifs in Cyanometallates: From Building Units to Three-Periodic Frameworks. Chemical Reviews, 2015, 115 (22), 12286–12319 doi: 10.1021/acs.chemrev.5b00320 IF 52.613
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11 June 2015 A Collection of Topological Types of Nanoclusters and Its Application to Icosahedron-Based Intermetallics.
Arina A. Pankova, Tatiana G. Akhmetshina, Vladislav A. Blatov, and Davide M. Proserpio. A Collection of Topological Types of Nanoclusters and Its Application to Icosahedron-Based Intermetallics. Inorganic Chemistry, 2015, 54 (13), 6616–6630. doi:10.1021/acs.inorgchem.5b00960 IF 4.700
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13 February 2015 New knowledge and tools for crystal design: local coordination versus overall network topology and much more.
Eugeny V. Alexandrov, Alexander P. Shevchenko, Abdullah A. Asiri and Vladislav A. Blatov.New knowledge and tools for crystal design: local coordination versus overall network topology and much more. CrystEngComm, 2015, 17 (15), 2913-2924. doi: 10.1039/C4CE02418D IF 3.382
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10 February 2015 Vacancy Ordering as a Driving Factor for Structural Changes in Ternary Germanides: The New R2Zn1–xGe6 Series of Polar Intermetallics (R = Rare-Earth Metal).
Pavlo Solokha, Serena De Negri, Davide M. Proserpio, Vladislav A. Blatov, and Adriana Saccone. Vacancy Ordering as a Driving Factor for Structural Changes in Ternary Germanides: The New R2Zn1–xGe6 Series of Polar Intermetallics (R = Rare-Earth Metal). Inorganic Chemistry, 2015, 54 (5), 2411–2424. doi: 10.1021/ic5030313 IF 4.700
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