Lista de obras - Jevgēņijs Kotomins - Dominio Público Uruguay

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

scientific article published on 01 October 2008

Ab Initio Study of BiFeO3: Thermodynamic Stability Conditions.

artículo científico publicado en 2015

Ab Initio Thermodynamics of Oxygen Vacancies and Zinc Interstitials in ZnO

artículo científico publicado en 2014

Ab initio DFT+U study of He atom incorporation into UO(2) crystals

artículo científico publicado en 2009

Ab initio modeling of metal adhesion on oxide surfaces with defects

scientific article published on 01 February 2000

Ab initio modeling of spin and charge ordering and lattice dynamics in CaFeO(3) crystals

scientific article published on 01 December 2008

Adsorption of atomic and molecular oxygen on the LaMnO3(001) surface: ab initio supercell calculations and thermodynamics

scientific article published on 20 June 2008

Analysis of the U L 3 -edge X-ray absorption spectra in UO 2 using molecular dynamics simulations

Anomalous Kinetics of Diffusion-Controlled Defect Annealing in Irradiated Ionic Solids

artículo científico publicado en 2017

Atomistic theory of mesoscopic pattern formation induced by bimolecular surface reactions between oppositely charged molecules ⬇️

artículo científico publicado el 14 de diciembre de 2011

Calculations of the geometry and optical properties of FMg centers and dimer (F2-type) centers in corundum crystals

artículo científico publicado en 1995

Calculations of the ground and excited states of F-type centers in corundum crystals

artículo científico publicado en 1994

Confinement effects for ionic carriers in SrTiO3 ultrathin films: first-principles calculations of oxygen vacancies

scientific article published on 29 November 2010

DFT plane wave calculations of the atomic and electronic structure of LaMnO3 (001) surface

artículo científico publicado en 2005

Distinctive features of diffusion-controlled radiation defect recombination in stoichiometric magnesium aluminate spinel single crystals and transparent polycrystalline ceramics

artículo científico publicado en 2020

Effect of reactant spatial distribution in the A+B-->0 reaction kinetics in one dimension with Coulomb interaction

artículo científico publicado en 1996

Electromechanical Properties of Ba(1-x)SrxTiO3 Perovskite Solid Solutions from First-Principles Calculations

artículo científico publicado en 2017

Evidence for interfacial-storage anomaly in nanocomposites for lithium batteries from first-principles simulations

scientific article published on 09 February 2006

First principles study of confinement effects for oxygen vacancies in BaZrO₃ (001) ultra-thin films

artículo científico publicado en 2016

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

scientific article published on 01 April 2019

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

artículo científico publicado en 2017

First-principles calculations of the vibrational properties of H centers in KCl crystals

artículo científico publicado en 1996

First-principles phonon calculations of Fe⁴⁺ impurity in SrTiO₃

scientific article published on 21 February 2012

Formation and migration of oxygen vacancies in La(1-x)Sr(x)Co(1-y)Fe(y)O(3-δ) perovskites: insight from ab initio calculations and comparison with Ba(1-x)Sr(x)Co(1-y)Fe(y)O(3-δ).

artículo científico publicado en 2013

Hybrid density functional theoretical study of NASICON-type NaxTi2(PO4)3 (x = 1-4)

scientific article published on 20 May 2020

Interstitial-oxygen-atom diffusion in MgO

artículo científico publicado en 1996

Kuzovkov and Kotomin reply

scientific article published on 01 July 1995

Manifestation of dipole-induced disorder in self-assembly of ferroelectric and ferromagnetic nanocubes

scientific article published on 01 April 2019

Microscopic approach to the kinetics of pattern formation of charged molecules on surfaces ⬇️

artículo científico publicado el 9 de agosto de 2010

Modeling of primary defect aggregation in tracks of swift heavy ions in LiF

artículo científico publicado en 2001

Note: Effective diffusion coefficient in heterogeneous media

artículo científico publicado en 2012

Oxygen Vacancy Formation and Migration within the Antiphase Boundaries in Lanthanum Scandate-Based Oxides: Computational Study

artículo científico publicado en 2022

Pair and triple correlations in the A+B-->B diffusion-controlled reaction

scientific article published on 01 March 1994

Pattern Formation Kinetics for Charged Molecules on Surfaces: Microscopic Correlation Function Analysis ⬇️

artículo científico publicado el 18 de noviembre de 2011

Quantum chemical simulation of the self-trapped hole in alpha -Al2O3 crystals

scientific article published on 01 August 1992

Static and dynamic screening effects in the electrostatic self-assembly of nano-particles

artículo científico publicado en 2014

The first-principles treatment of the electron-correlation and spin–orbital effects in uranium mononitride nuclear fuels ⬇️

artículo científico publicado el 24 de febrero de 2012

The non-equilibrium charge screening effects in diffusion-driven systems with pattern formation

artículo científico publicado en 2011

Theoretical analysis of the growth mode for thin metallic films on oxide substrates

artículo científico publicado en 2000

Theory of non-equilibrium critical phenomena in three-dimensional condensed systems of charged mobile nanoparticles.

artículo científico publicado en 2014

Thermodynamic properties of neutral and charged oxygen vacancies in BaZrO3 based on first principles phonon calculations

artículo científico publicado en 2015

Thermodynamic stability of non-stoichiometric SrFeO3-δ: a hybrid DFT study

artículo científico publicado en 2019

Thermodynamic stability of stoichiometric LaFeO3 and BiFeO3: a hybrid DFT study.

artículo científico publicado en 2017

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

artículo científico publicado en 2017

Water Splitting on Multifaceted SrTiO3 Nanocrystals: Calculations of Raman Vibrational Spectrum

artículo científico publicado en 2022

Lista de obras de Jevgēņijs Kotomins

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

Ab Initio Study of BiFeO3: Thermodynamic Stability Conditions.

Ab Initio Thermodynamics of Oxygen Vacancies and Zinc Interstitials in ZnO

Ab initio DFT+U study of He atom incorporation into UO(2) crystals

Ab initio modeling of metal adhesion on oxide surfaces with defects

Ab initio modeling of spin and charge ordering and lattice dynamics in CaFeO(3) crystals

Adsorption of atomic and molecular oxygen on the LaMnO3(001) surface: ab initio supercell calculations and thermodynamics

Analysis of the U L 3 -edge X-ray absorption spectra in UO 2 using molecular dynamics simulations

Anomalous Kinetics of Diffusion-Controlled Defect Annealing in Irradiated Ionic Solids

Atomistic theory of mesoscopic pattern formation induced by bimolecular surface reactions between oppositely charged molecules ⬇️

Calculations of the geometry and optical properties of FMg centers and dimer (F2-type) centers in corundum crystals

Calculations of the ground and excited states of F-type centers in corundum crystals

Confinement effects for ionic carriers in SrTiO3 ultrathin films: first-principles calculations of oxygen vacancies

DFT plane wave calculations of the atomic and electronic structure of LaMnO3 (001) surface

Distinctive features of diffusion-controlled radiation defect recombination in stoichiometric magnesium aluminate spinel single crystals and transparent polycrystalline ceramics

Effect of reactant spatial distribution in the A+B-->0 reaction kinetics in one dimension with Coulomb interaction

Electromechanical Properties of Ba(1-x)SrxTiO3 Perovskite Solid Solutions from First-Principles Calculations

Evidence for interfacial-storage anomaly in nanocomposites for lithium batteries from first-principles simulations

First principles study of confinement effects for oxygen vacancies in BaZrO₃ (001) ultra-thin films

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

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

First-principles calculations of the vibrational properties of H centers in KCl crystals

First-principles phonon calculations of Fe⁴⁺ impurity in SrTiO₃

Formation and migration of oxygen vacancies in La(1-x)Sr(x)Co(1-y)Fe(y)O(3-δ) perovskites: insight from ab initio calculations and comparison with Ba(1-x)Sr(x)Co(1-y)Fe(y)O(3-δ).

Hybrid density functional theoretical study of NASICON-type NaxTi2(PO4)3 (x = 1-4)

Interstitial-oxygen-atom diffusion in MgO

Kuzovkov and Kotomin reply

Manifestation of dipole-induced disorder in self-assembly of ferroelectric and ferromagnetic nanocubes

Microscopic approach to the kinetics of pattern formation of charged molecules on surfaces ⬇️

Modeling of primary defect aggregation in tracks of swift heavy ions in LiF

Note: Effective diffusion coefficient in heterogeneous media

Oxygen Vacancy Formation and Migration within the Antiphase Boundaries in Lanthanum Scandate-Based Oxides: Computational Study

Pair and triple correlations in the A+B-->B diffusion-controlled reaction

Pattern Formation Kinetics for Charged Molecules on Surfaces: Microscopic Correlation Function Analysis ⬇️

Quantum chemical simulation of the self-trapped hole in alpha -Al2O3 crystals

Static and dynamic screening effects in the electrostatic self-assembly of nano-particles

The first-principles treatment of the electron-correlation and spin–orbital effects in uranium mononitride nuclear fuels ⬇️

The non-equilibrium charge screening effects in diffusion-driven systems with pattern formation

Theoretical analysis of the growth mode for thin metallic films on oxide substrates

Theory of non-equilibrium critical phenomena in three-dimensional condensed systems of charged mobile nanoparticles.

Thermodynamic properties of neutral and charged oxygen vacancies in BaZrO3 based on first principles phonon calculations

Thermodynamic stability of non-stoichiometric SrFeO3-δ: a hybrid DFT study

Thermodynamic stability of stoichiometric LaFeO3 and BiFeO3: a hybrid DFT study.

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

Water Splitting on Multifaceted SrTiO3 Nanocrystals: Calculations of Raman Vibrational Spectrum