Search Results - "Tokár, Kamil"

Silver route to cuprate analogs by Gawraczyński, Jakub, Kurzydłowski, Dominik, Ewings, Russell A., Bandaru, Subrahmanyam, Gadomski, Wojciech, Mazej, Zoran, Ruani, Giampiero, Bergenti, Ilaria, Jaroń, Tomasz, Ozarowski, Andrew, Hill, Stephen, Leszczyński, Piotr J., Tokár, Kamil, Derzsi, Mariana, Barone, Paolo, Wohlfeld, Krzysztof, Lorenzana, José, Grochala, Wojciech

“…The parent compound of high-Tc superconducting cuprates is a unique Mott insulator consisting of layers of spin-1/2 ions forming a square lattice and with a…”
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Novel type of azomethine with combined effects of thiophene cores and vicinal cyano groups by Gašparová, Marcela, Kabaňová, Natália, Tokár, Kamil, Végh, Daniel, Tokárová, Zita

“…Through the condensation of 2,5-diaminothiophene-3,4-dicarbonitrile with thiophene-2-carbaldehyde, a new homologue of azomethine-based compounds was achieved…”
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Polarized Raman Reveals Alignment of Few-Layer MoS2 Films by Hulman, Martin, Sojková, Michaela, Végsö, Karol, Mrkyvkova, Nada, Hagara, Jakub, Hutár, Peter, Kotrusz, Peter, Hudec, Ján, Tokár, Kamil, Majkova, Eva, Siffalovic, Peter

“…Ongoing interest in two-dimensional (2D) layered materials has motivated extensive studies of transitional metal dichalcogenides, especially its most…”
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Mechanocatalysis of CO to CO2 on TiO2 surface controlled at atomic scale by Adachi, Yuuki, Turanský, Robert, Brndiar, Ján, Tokár, Kamil, Zhu, Qiang, Wen, Huan Fei, Sugawara, Yasuhiro, Štich, Ivan, Li, Yan Jun

“…The common ways to activate a chemical reaction are by heat, electric current, or light. However, mechanochemistry, where the chemical reaction is activated by…”
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Comparative ab initio study of lattice dynamics and thermodynamics of Fe2SiO4- and Mg2SiO4-spinels by Derzsi, Mariana, Piekarz, Przemysław, Tokár, Kamil, Jochym, Paweł T, Łażewski, Jan, Sternik, Małgorzata, Parlinski, Krzysztof

“…Lattice dynamics and thermodynamic properties of antiferromagnetic Fe(2)SiO(4)-spinel have been studied using density functional theory. Phonon dispersions are…”
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Comparative computational study of antiferromagnetic and mixed-valent diamagnetic phase of AgF2: Crystal, electronic and phonon structure and p-T phase diagram by Tokár, Kamil, Derzsi, Mariana, Grochala, Wojciech

“…[Display omitted] •Ambient pressure polymorphism of silver difluoride AgF2.•Little known metastable β-AgF2 form.•Crystal and electronic structure.•Lattice…”
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Thermodynamic properties and phase stability of wadsleyite II by Tokár, Kamil, Jochym, Paweł T., Piekarz, Przemysław, Łażewski, Jan, Sternik, Małgorzata, Parlinski, Krzysztof

“…The thermodynamical stability of a newly observed wadsleyite II phase in the Mg 2 SiO 4 system is studied by the density functional theory. The wadsleyite II…”
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The synthesis and spectral study of thiazolo[5,4-d]thiazole based small molecules using 1,3,4-oxadiazole as a linker for organic electronics by Balogh, Róbert, Eckstein, Anita, Tokár, Kamil, Danko, Martin

“…[Display omitted] •New non-symmetrical thiazolo[5,4-d]thiazole bearing oxadiazol linker were synthesized.•Spectral and electronic properties were modulated by…”
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Survey of the Ketcham reaction for series of furan-substituted thiazolo[5,4-d]thiazoles by Tokárová, Zita, Eckstein-Andicsová, Anita, Balogh, Róbert, Tokár, Kamil

“…Available online-Thiazolo[5,4-d]thiazoles/TzTz are active moieties in photovoltaic and optoelectronic materials. Initial TzTz synthesis relies on the Ketcham…”
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The Influence of the Isosteric Exchange of Benzene by Thiophene‐Core of Phthalocyanine: The Synthesis, Structure and Opto‐Electronic Behavior of π‐Conjugated Unit Blocks in Materials by Kendrová, Dominika, Gašparová, Marcela, Andicsová‐Eckstein, Anita, Váry, Tomáš, Tokár, Kamil, Tokárová, Zita

“…ABSTRACT The strategy of isosteric replacement of the benzene ring with a thiophene core was applied in the design of phthalocyanine 1 with the aim for…”
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Raman Activity of Multilayer Phosphorene under Strain by Tokár, Kamil, Brndiar, Ján, Štich, Ivan

“…Using computational tools, we study the behavior of activities of lattice vibrational Raman modes in few-layered phosphorene of up to four layers subjected to…”
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Thiophene-centered azomethines: Structure, photophysical and electronic properties by Tokárová, Zita, Maxianová, Petra, Váry, Tomáš, Nádaždy, Vojtech, Végh, Daniel, Tokár, Kamil

“…We present the synthesis and structure characterization of three novel symmetrical azomethines 3a-c derived from 2,5-diamino-thiophene-3,4-dicarbonitrile…”
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Quest for Compounds at the Verge of Charge Transfer Instabilities: The Case of Silver(II) Chloride by Derzsi, Mariana, Grzelak, Adam, Kondratiuk, Paweł, Tokár, Kamil, Grochala, Wojciech

“…Electron-transfer processes constitute one important limiting factor governing stability of solids. One classical case is that of CuI2, which has never been…”
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Polarized Raman Reveals Alignment of Few-Layer MoS 2 Films by Hulman, Martin, Sojková, Michaela, Végsö, Karol, Mrkyvkova, Nada, Hagara, Jakub, Hutár, Peter, Kotrusz, Peter, Hudec, Ján, Tokár, Kamil, Majkova, Eva, Siffalovic, Peter

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Charge ordering mechanism in silver fluoride AgF$_2 by Derzsi, Mariana, Tokár, Kamil, Piekarz, Przemysław, Grochala, Wojciech

“…Phys. Rev. B 105, L081113, 2022 Using Density Functional Theory, competition between Mott-Hubbard and intervalence charge transfer mechanism of electron…”
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Gigantic work function in layered AgF2 by Wegner, Wojciech, Tokár, Kamil, Lorenzana, Jose, Derzsi, Mariana, Grochala, Wojciech

“…AgF2 is a layered material and a correlated charge transfer insulator with an electronic structure very similar to the parent compounds of cuprate high-Tc…”
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Strength of Correlations in a Silver Based Cuprate Analogue by Piombo, Riccardo, Jezierski, Daniel, Martins, Henrique Perin, Jaroń, Tomasz, Gastiasoro, Maria N, Barone, Paolo, Tokár, Kamil, Piekarz, Przemyslaw, Derzsi, Mariana, Mazej, Zoran, Abbate, Miguel, Grochala, Wojciech, Lorenzana, José

“…Phys. Rev. B 106, 035142 (2022) AgF2 has been proposed as a cuprate analogue which requires strong correlation and marked covalence. On the other hand,…”
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Electronic and optical properties of the Mg 2 − x Fe x SiO 4 spinel: From band insulator to Mott insulator by Tokár, Kamil, Piekarz, Przemysław, Derzsi, Mariana, Jochym, Paweł T., Łażewski, Jan, Sternik, Małgorzata, Oleś, Andrzej M., Parlinski, Krzysztof

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The silver route to cuprate analogs by Gawraczyński, Jakub, Kurzydłowski, Dominik, Gadomski, Wojciech, Mazej, Zoran, Ruani, Giampiero, Bergenti, Ilaria, Jaroń, Tomasz, Ozarowski, Andrew, Hill, Stephen, Leszczyński, Piotr J, Tokár, Kamil, Derzsi, Mariana, Barone, Paolo, Wohlfeld, Krzysztof, Lorenzana, José, Grochala, Wojciech

“…PNAS 116 1495-1500 (2019) The parent compound of high-Tc superconducting cuprates is a unique Mott state consisting of layers of spin-1/2 ions arranged on a…”
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Computational study of antiferromagnetic and mixed-valent diamagnetic phase of AgF2: crystal, electronic and phonon structure and p-T phase diagram by Tokar, Kamil, Derzsi, Mariana, Grochala, Wojciech

“…Crystal and electronic structure, lattice dynamics and thermodynamic stability of little known mixed valent diamagnetic AgIAgIIIF4 beta form of AgF2 is…”
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