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The combined inelastic neutron scattering and solid state DFT study of hydrogen atoms dynamics in a highly ordered kaolinite
Title The combined inelastic neutron scattering and solid state DFT study of hydrogen atoms dynamics in a highly ordered kaolinite Author Smrčok Ľubomír 1954 SAVANOCH - Ústav anorganickej chémie SAV Co-authors Tunega Daniel SAVANOCH - Ústav anorganickej chémie SAV Ramirez-Cuesta Anibal Javier Scholtzová Eva 1965 SAVANOCH - Ústav anorganickej chémie SAV ORCID Source document Physics and Chemistry of Minerals. Vol. 37, no. 8 (2010), p. 571-579 Language eng - English Country US - United States of America Document kind rozpis článkov z periodík (rbx) Citations WHITE, Rachel D. - BAVYKIN, Dmitry V. - WALSH, Frank C. Spontaneous Scrolling of Al2Si2O5(OH)(4) Nanosheets into Halloysite Nanotubes Stimulated by Structural Doping with GeO2. In 2012 12TH IEEE CONFERENCE ON NANOTECHNOLOGY (IEEE-NANO), 2012, vol., no., pp. WHITE, Claire E. - KEARLEY, Gordon J. - PROVIS, John L. - RILEY, Daniel P. Structure of kaolinite and influence of stacking faults: Reconciling theory and experiment using inelastic neutron scattering analysis. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2013, vol. 138, no. 19, pp. WHITE, Claire E. - KEARLEY, Gordon J. - PROVIS, John L. - RILEY, Daniel P. Inelastic neutron scattering analysis of the thermal decomposition of kaolinite to metakaolin. In CHEMICAL PHYSICS. ISSN 0301-0104, 2013, vol. 427, no., pp. 82. TABOROSI, Attila - KURDIA, Robert - SZILAGYI, Robert K. The positions of inner hydroxide groups and aluminium ions in exfoliated kaolinite as indicators of the external chemical environment. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, 2014, vol. 16, no. 47, pp. 25830. SIHVONEN, Sarah K. - SCHILL, Gregory P. - LYKTEY, Nicholas A. - VEGHTE, Daniel P. - TOLBERT, Margaret A. - FREEDMAN, Miriam Arak. Chemical and Physical Transformations of Aluminosilicate Clay Minerals Due to Acid Treatment and Consequences for Heterogeneous Ice Nucleation. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, 2014, vol. 118, no. 38, pp. 8787. HADJIIVANOV, Konstantin. Identification and Characterization of Surface Hydroxyl Groups by Infrared Spectroscopy. In ADVANCES IN CATALYSIS, VOL 57. ISSN 0360-0564, 2014, vol. 57, no., pp. 99. PALATINUS, Lukas - CORREA, Cinthia Antunes - STECIUK, Gwladys - JACOB, Damien - ROUSSEL, Pascal - BOULLAY, Philippe - KLEMENTOVA, Mariana - GEMMI, Mauro - KOPECEK, Jaromir - DOMENEGHETTI, M. Chiara - CAMARA, Fernando - PETRICEK, Vaclav. Structure refinement using precession electron diffraction tomography and dynamical diffraction: tests on experimental data. In ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS. ISSN 2052-5206, 2015, vol. 71, no. 6, pp. 740-751. TABOROSI, Attila - SZILAGYI, Robert K. Realistic molecular cluster models for exfoliated kaolinite. In CLAY MINERALS. ISSN 0009-8558, 2015, vol. 50, no. 3, pp. 307-327. TABOROSI, Attila - SZILAGYI, Robert K. Behaviour of the surface hydroxide groups of exfoliated kaolinite in the gas phase and during water adsorption. In DALTON TRANSACTIONS. ISSN 1477-9226, 2016, vol. 45, no. 6, pp. 2523-2535. ZHU XIAOYAN - ZHU ZHICHAO - LEI XINRONG - YAN CHUNJIE - CHEN JIEYU. Comparative Study on the Defects of Kaolinite from America, Brazil and China Applied for Paper Coating: XRD and Refinement by Rietveld Method. In JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION. ISSN 1000-2413, 2017, vol. 32, no. 2, pp. 373-377. DOS SANTOS, E. C. - GATES, W. P. - MICHELS, L. - JURANYI, F. - MIKKELSEN, A. - DA SILVA, G. J. - FOSSUM, J. O. - BORDALLO, H. N. The pH influence on the intercalation of the bioactive agent ciprofloxacin in fluorohectorite. In APPLIED CLAY SCIENCE. ISSN 0169-1317, 2018, vol. 166, no., pp. 288-298. JIGE, Mayumi - TAKAGI, Tetsuichi - TAKAHASHI, Yoshio - KURISU, Minako - TSUNAZAWA, Yuki - MORIMOTO, Kazuya - HOSHINO, Mihoko - TSUKIMURA, Katsuhiro. Fe-kaolinite in granite saprolite beneath sedimentary kaolin deposits: A mode of Fe substitution for Al in kaolinite. In AMERICAN MINERALOGIST. ISSN 0003-004X, 2018, vol. 103, no. 7, pp. 1126-1135. TABOROSI, Attila - SZILAGYI, Robert K. - ZSIRKA, Balazs - FONAGY, Orsolya - HORVATH, Erzsebet - KRISTOF, Janos. Molecular Treatment of Nano-Kaolinite Generations. In INORGANIC CHEMISTRY. ISSN 0020-1669, 2018, vol. 57, no. 12, pp. 7151-7167. RICHARD, Diego - RENDTORFF, Nicolas M. First principles study of structural properties and electric field gradients in kaolinite. In APPLIED CLAY SCIENCE. ISSN 0169-1317, 2019, vol. 169, no., pp. 67-73. RICHARD, Diego - RENDTORFF, Nicolas Maximiliano. Local Environments in Iron-Bearing Clay Minerals by DFT Approaches: The Case of Structural Fe in Kaolinite. In APPLIED CLAY SCIENCE, 2021, vol. 213, no., pp. ISSN 0169-1317. Dostupné na: https://doi.org/10.1016/j.clay.2021.106251. WANG, Jie - FU, Liangjie - YANG, Huaming - ZUO, Xiaochao - WU, Di. Energetics, Interlayer Molecular Structures, and Hydration Mechanisms of Dimethyl Sulfoxide (DMSO)-Kaolinite Nanoclay Guest-Host Interactions. In JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, vol. 12, no. 40, pp. 9973-9981. ISSN 1948-7185. Dostupné na: https://doi.org/10.1021/acs.jpclett.1c02729. KOBAYASHI, K. - YAMAGUCHI, A. - OKUMURA, M. Machine learning potentials of kaolinite based on the potential energy surfaces of GGA and meta-GGA density functional theory. In APPLIED CLAY SCIENCE. ISSN 0169-1317, OCT 2022, vol. 228. Dostupné na: https://doi.org/10.1016/j.clay.2022.106596. KURAPOTHULA, P.K.J. - SHEPHERD, S. - WILKINS, D.M. Hydrogen-bonding and nuclear quantum effects in clays. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, FEB 28 2022, vol. 156, no. 8. Dostupné na: https://doi.org/10.1063/5.0083075. XU, Y. - HAO, X.D. - ZHANG, X.S. - WANG, T. - HU, Z.Z. - CHEN, Y.J. - FENG, X.Y. - LIU, W. - HAO, F.Y. - KONG, X.G. - HE, C.Z. - MA, S.F. - XU, B.S. Increasing oxygen vacancies in CeOsub2/sub nanocrystals by Ni doping and reduced graphene oxide decoration towards electrocatalytic hydrogen evolution. In CRYSTENGCOMM. MAY 11 2022, vol. 24, no. 18, p. 3369-3379. Dostupné na: https://doi.org/10.1039/d2ce00209d. Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2010 Registered in WOS Registered in SCOPUS Registered in CCC DOI 10.1007/s00269-010-0358-3 
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rok CC IF IF Q (best) JCR Av Jour IF Perc SJR SJR Q (best) CiteScore A rok vydania rok metriky IF IF Q (best) SJR SJR Q (best) 2010 2009 1.597
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