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Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (15), p.5443-5471

2013

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Epitaxial growth of perovskite oxide films facilitated by oxygen vacancies

Journal of materials chemistry. C, Materials for optical and electronic devices, 2021-01, Vol.9 (5), p.1693-17

2021

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The electronic properties of SrTiO3-δ with oxygen vacancies or substitutions

Scientific reports, 2021-12, Vol.11 (1), p.23341-23341, Article 23341

2021

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Ab Initio Study of BiFeO3: Thermodynamic Stability Conditions

The journal of physical chemistry letters, 2015-07, Vol.6 (14), p.2847-2851

2015

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Evidence for the formation of two types of oxygen interstitials in neutron-irradiated α-Al2O3 single crystals

Scientific reports, 2021-10, Vol.11 (1), p.20909-20909, Article 20909

2021

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Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces

Surface science, 2009-01, Vol.603 (2), p.326-335

2009

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

Physical chemistry chemical physics : PCCP, 2017-03, Vol.19 (12), p.834-8348

2017

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Nano-ionics in the context of lithium batteries

Journal of power sources, 2006-09, Vol.159 (1), p.171-178

2006

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

Physical chemistry chemical physics : PCCP, 2014-12, Vol.16 (46), p.25449-2546

2014

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

Physical chemistry chemical physics : PCCP, 2014-07, Vol.16 (27), p.13974-13983

2014

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Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and sub-surface vacancies

Journal of nuclear materials, 2011-09, Vol.416 (1), p.200-204

2011

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Ab initio simulations of oxygen interaction with surfaces and interfaces in uranium mononitride

Journal of nuclear materials, 2013-04, Vol.435 (1-3), p.102-106

2013

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First-principles comparative study of perfect and defective CsPbX3 (X = Br, I) crystals

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (7), p.3914-3920

2020

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DFT calculations of point defects on UN(001) surface

Surface science, 2011-02, Vol.605 (3), p.396-400

2011

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Basic properties of the F-type centers in halides, oxides and perovskites

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2010-10, Vol.268 (19), p.3084-3089

2010

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

Scientific reports, 2020-05, Vol.10 (1), p.7810-7810, Article 7810

2020

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Atomic scale DFT simulations of point defects in uranium nitride

Journal of physics. Condensed matter, 2007-03, Vol.19 (10), p.106208-106208 (9)

2007

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Chemisorption of a molecular oxygen on the UN(0 0 1) surface: Ab initio calculations

Journal of nuclear materials, 2009-09, Vol.393 (3), p.504-507

2009

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Proton migration barriers in BaFeO3−δ – insights from DFT calculations

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-03, Vol.11 (12), p.6336-6348

2023

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

The journal of physical chemistry. B, 2011-12, Vol.115 (49), p.14626-14633

2011

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

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (3), p.923-926

2011

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Kinetics of F center annealing and colloid formation in Al2O3

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2016-05, Vol.374, p.107-110

2016

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Ab initio modelling of oxygen vacancies and protonic defects in La1-xSrxFeO3- delta perovskite solid solutions

Journal of materials chemistry. A, Materials for energy and sustainability, 2016-08, Vol.4 (34), p.13093-13104

2016

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First principles modelling of oxygen impurities in UN nuclear fuels

Journal of nuclear materials, 2008-07, Vol.377 (3), p.492-495

2008

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

Physical chemistry chemical physics : PCCP, 2005-06, Vol.7 (11), p.2346-2350

2005

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Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells

Epitaxial growth of perovskite oxide films facilitated by oxygen vacancies

The electronic properties of SrTiO3-δ with oxygen vacancies or substitutions

Ab Initio Study of BiFeO3: Thermodynamic Stability Conditions

Evidence for the formation of two types of oxygen interstitials in neutron-irradiated α-Al2O3 single crystals

Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces

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

Nano-ionics in the context of lithium batteries

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

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

Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and sub-surface vacancies

Ab initio simulations of oxygen interaction with surfaces and interfaces in uranium mononitride

First-principles comparative study of perfect and defective CsPbX3 (X = Br, I) crystals

DFT calculations of point defects on UN(001) surface

Basic properties of the F-type centers in halides, oxides and perovskites

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

Atomic scale DFT simulations of point defects in uranium nitride

Chemisorption of a molecular oxygen on the UN(0 0 1) surface: Ab initio calculations

Proton migration barriers in BaFeO3−δ – insights from DFT calculations

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

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

Kinetics of F center annealing and colloid formation in Al2O3

Ab initio modelling of oxygen vacancies and protonic defects in La1-xSrxFeO3- delta perovskite solid solutions

First principles modelling of oxygen impurities in UN nuclear fuels

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

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