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List of works by Andrei V Bandura

A first-principles DFT study of UN bulk and (001) surface: comparative LCAO and PW calculations

scientific article published on 01 October 2008

Application of zone-folding approach to the first-principles estimation of thermodynamic properties of carbon and ZrS2 -based nanotubes.

scientific article published on 31 October 2015

BaTiO3-based nanolayers and nanotubes: first-principles calculations.

scientific article published on 20 September 2012

Comparison of cation adsorption by isostructural rutile and cassiterite

scientific article published on 21 March 2011

Comparisons of multilayer H2O adsorption onto the (110) surfaces of alpha-TiO2 and SnO2 as calculated with density functional theory

scientific article published on 20 August 2008

Derivation of force field parameters for SnO2-H2O surface systems from plane-wave density functional theory calculations

scientific article published on 01 April 2006

Faster proton transfer dynamics of water on SnO2 compared to TiO2

scientific article published on 01 January 2011

First-Principles Calculations of Phonons and Thermodynamic Properties of Zr(Hf)S2 -Based Nanotubes

scientific article published on 11 December 2019

First-principles calculations on the four phases of BaTiO3

scientific article published on 27 February 2012

First-principles calculations on thermodynamic properties of BaTiO3 rhombohedral phase.

scientific article published on 19 April 2012

First-principles modeling of hafnia-based nanotubes

scientific article published on 15 June 2017

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

article

Ion adsorption at the rutile-water interface: linking molecular and macroscopic properties.

scientific article

Phonon spectra, electronic, and thermodynamic properties of WS2 nanotubes.

scientific article published on 21 August 2017

Quantum Chemical Study of Water Adsorption on the Surfaces of SrTiO3 Nanotubes

scientific article published on 25 May 2015

Structure reconstruction of TiO2-based multi-wall nanotubes: first-principles calculations

scientific article published on 01 July 2014

Surface protonation at the rutile (110) interface: explicit incorporation of solvation structure within the refined MUSIC model framework.

scientific article

Temperature dependence of strain energy and thermodynamic properties of V2 O5 -based single-walled nanotubes: Zone-folding approach.

scientific article published on 17 March 2016

Temperature dependence of thermodynamic properties of MoS2 monolayer and single-wall nanotubes: Application of the developed three-body force field

scientific article published on 04 September 2018

Theoretical Study of α-V2O5 -Based Double-Wall Nanotubes

scientific article published on 13 August 2015

TiS2 and ZrS2 single- and double-wall nanotubes: first-principles study.

scientific article

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