Robert Evarestov - Dissemin

All papers authored by Robert Evarestov

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2019 Robert A. Evarestov

, Alessandro Senocrate

, Eugene A. Kotomin

, Joachim Maier

First-principles calculations of iodine-related point defects in CsPbI3

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2018 Robert A. Evarestov

, Andrei V. Bandura

Infrared and Raman active vibrational modes in MoS 2 ‐based nanotubes: Symmetry analysis and first‐principles calculations

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R. A. Evarestov

, A. V. Bandura

, I. I. Tupitsyn

Supercell-zone folding transformation for bulk crystals and nanotubes

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2017 Vitaly V. Porsev, Andrei V. Bandura, Robert A. Evarestov

Water adsorption on α-V2O5 surface and absorption in V2O5∙nH2O xerogel: DFT study of electronic structure

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This paper is made freely available by the publisher.

Alexander Platonenko, Sergei Piskunov, Dmitry Bocharov, Yuri F. Zhukovskii, Robert A. Evarestov

, Stefano Bellucci

First-principles calculations on Fe-Pt nanoclusters of various morphologies

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Robert A. Evarestov

, Andrei V. Bandura, Vitaly V. Porsev, Alexey V. Kovalenko

Phonon spectra, electronic, and thermodynamic properties of WS2 nanotubes

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Andrei V. Bandura, Robert A. Evarestov

, Sergey I. Lukyanov, Sergei Piskunov, Yuri F. Zhukovskii

Simulation of Young’s moduli for hexagonal ZnO [0 0 0 1]-oriented nanowires: first principles and molecular mechanical calculations

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Robert A. Evarestov

, Sergei Piskunov, Yuri F. Zhukovskii

Site symmetry approach in the supercell model of carbon-doped ZnO bulk

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Robert A. Evarestov

, Andrei V. Bandura, Vitaly V. Porsev, Alexey V. Kovalenko

First-principles modeling of hafnia-based nanotubes

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R. A. Evarestov

, Y.-U. E. Kitaev, V. V. Porsev

Use of Wyckoff position splittings in the supercell model of crystals with point defects

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Reshef Tenne

, Robert Evarestov

Special Issue: Computational Science of Inorganic Nanostructures

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Andrei V. Bandura, Sergey I. Lukyanov, Robert A. Evarestov

Atom–atom force field for simulation of zirconia bulk, nanosheets and nanotubes

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R. A. Evarestov

, D. Gryaznov

, M. Arrigoni, E. A. Kotomin

, A. Chesnokov, J. Maier

Use of site symmetry in supercell models of defective crystals: polarons in CeO2

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Robert A. Evarestov

, Alexander Platonenko

, Denis Gryaznov

, Yuri F. Zhukovskii

, Eugene A. Kotomin

First-principles calculations of oxygen interstitials in corundum: a site symmetry approach

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2016 Y.-U. F. Zhukovskii, S. Piskunov, O. Lisovski, D. Bocharov, R. A. Evarestov

Doped 1D Nanostructures of Transition-metal Oxides: First-principles Evaluation of Photocatalytic Suitability

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Robert A. Evarestov

, Andrei V. Bandura, Vitaly V. Porsev

Thermodynamic properties of nanotubes: zone-folding approach

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Yury S. Tveryanovich, Andrei V. Bandura, Svetlana V. Fokina, Evgeny N. Borisov, Robert A. Evarestov

Nanolayered solid electrolyte (GeSe2)30(Sb2Se3)30(AgI)40/AgI: A new hypothesis for the conductivity mechanism in layered AgI

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R. A. Evarestov

, Y.-U. E. Kitaev

New insight on cubic–tetragonal–monoclinic phase transitions in ZrO2: ab initio study and symmetry analysis

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Andrei V. Bandura, Dmitry D. Kuruch, Robert A. Evarestov

First-principles Calculations of InS-based Nanotubes

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Yuri F. Zhukovskii, Sergei Piskunov, Oleg Lisovski, Eckhard Spohr, Robert A. Evarestov

Quantum chemical simulations of doped ZnO nanowires for photocatalytic hydrogen generation

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All papers authored by Robert Evarestov