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  1. No Access

    Article

    Electrical and optical properties of Ge20Sb15−xBixBi65 glasses

    Preliminary results of a study on the preparation, optical and electrical properties of Ge20Sb15-xBixS65 glasses are presented. It is shown that the substitution of antimony by bismuth atoms results in the red sh...

    Jiří Málek, Jiří Klikorka, Ludvík Beneš, Ladislav Tichý… in Journal of Materials Science (1986)

  2. No Access

    Article

    Molecular Mechanics Simulations in Structure Analysis of Intercalate VOPO4·2CH3CH2OH

    Molecular mechanics simulations using Cerius2 combined with X-ray diffraction and supported with vibrational spectroscopy have been used to investigate the layered structure of vanadyl phosphate VOPO4 intercalate...

    Pavla Čapková, Daniel Janeba, Ludvík Beneš, Klára Melánová… in Molecular modeling annual (1998)

  3. No Access

    Article

    Structure analysis of hydrotalcite intercalated with pyrenetetrasulfonate; experiments and molecular modelling

    The structure of pyrenetetrasulfonate intercalated with hydrotalcite, having the formula [Zn0.68Al0.32(OH)2][(C16H6O12S4)0.08 · x H2O], was proposed based on molecular simulations combined with experimental data ...

    Marek Veteška, Miroslav Pospíšil, Klára Melánová… in Journal of Molecular Modeling (2008)

  4. No Access

    Article

    Thermal properties and crystallization of PbO–MoO3–P2O5 glasses

    Thermal properties and crystallization of glasses from PbO–MoO3–P2O5 ternary system were studied in three compositional series (100 − x)[0.5PbO–0.5P2O5]–xMoO3 (A), 50PbO–yMoO3–(50 − y)P2O5 (B), and (50 − z)PbO–zM...

    Ivana Rösslerová, Ladislav Koudelka, Zdeněk Černošek… in Journal of Materials Science (2011)

  5. No Access

    Article

    Influence of 1,2-alkanediols on the structure of their intercalates with strontium phenylphosphonate solved by molecular simulation and experimental methods

    Strontium phenylphosphonate intercalates with 1,2-diols (from 1,2-ethanediol to 1,2-hexanediol) were synthesized and characterized by X-ray diffraction, thermogravimetry, chemical analysis, and molecular simul...

    Jan Svoboda, Klára Melánová, Vítězslav Zima, Ludvík Beneš… in Journal of Molecular Modeling (2016)

  6. No Access

    Article

    Geometry optimization of zirconium sulfophenylphosphonate layers by molecular simulation methods

    Classical molecular simulation methods were used for a detailed structural description of zirconium 4-sulfophenylphosphonate and zirconium phenylphosphonate 4-sulfophenylphosphonates with general formula Zr(HO3SC

    Jakub Škoda, Miroslav Pospíšil, Petr Kovář, Klára Melánová… in Journal of Molecular Modeling (2017)

  7. No Access

    Article

    Thermoelectric and Transport Properties of n-type Palladium-Doped Chalcopyrite Cu1−xPdxFeS2 Compounds

    Semiconducting CuFeS2 with a diamond-like structure has been recently studied as a potential candidate for thermoelectric applications. In the present study, Pd substitution for Cu was examined in terms of thermo...

    Jiří Navratil, Jana Kašparová, Tomáš Plecháček… in Journal of Electronic Materials (2019)