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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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Interatomic potential to study plastic deformation in tungsten-rhenium alloys

Journal of applied physics, 2017-04, Vol.121 (16)

2017

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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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Interaction of carbon with microstructural defects in a W-Re matrix: An ab initio assessment

Journal of applied physics, 2019-08, Vol.126 (7)

2019

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Trapping of hydrogen and helium at dislocations in tungsten: an ab initio study

Nuclear fusion, 2017-12, Vol.57 (12), p.126040

2017

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Elastic properties of the sigma W-Re phase: A first principles investigation

Scripta materialia, 2017-02, Vol.128, p.45-48

2017

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First-Principles Modeling of Oxygen Adsorption on Ag-Doped LaMnO3 (001) Surface

Journal of electronic materials, 2020-02, Vol.49 (2), p.1421-1434

2020

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Water interaction with perfect and fluorine-doped Co3O4 (100) surface

Solid state ionics, 2015-09, Vol.277, p.77-82

2015

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Ab initio modelling of titanium impurities in α-Fe lattice

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2020-11, Vol.483, p.50-54

2020

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Small radius electron and hole polarons in Pb X 2 ( X = F, Cl, Br) crystals: a computational study

Journal of materials chemistry. C, Materials for optical and electronic devices, 2021-12, Vol.9 (46), p.16536-16544

2021

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Ab initio modelling of the Y, O, and Ti solute interaction in fcc-Fe matrix

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2018-10, Vol.433, p.106-110

2018

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First principles calculations of (Ba,Sr)(Co,Fe)O3−δ structural stability

Solid state ionics, 2013-01, Vol.230, p.21-26

2013

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Implementing first principles calculations of defect migration in a fuel performance code for UN simulations

Journal of nuclear materials, 2009-09, Vol.393 (2), p.292-299

2009

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First Principles Modeling of Pd-doped (La,Sr)(Co,Fe)O3 Complex Perovskites

Fuel cells (Weinheim an der Bergstrasse, Germany), 2016-04, Vol.16 (2), p.267-271

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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Small radius electron and hole polarons in PbX2 (X = F, Cl, Br) crystals: a computational study

Journal of materials chemistry. C, Materials for optical and electronic devices, 2021-12, Vol.9 (46), p.16536-16544

2021

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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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First principles modeling of Ag adsorption on the LaMnO3 (001) surfaces

Solid state ionics, 2015-05, Vol.273, p.46-50

2015

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Radiation defects in complex perovskite solid solutions

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2014-05, Vol.326, p.243-246

2014

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Theoretical investigations of nitrogen doping on Co 3 O 4 for water dissociation catalytically activity

Journal of physics. Conference series, 2018, Vol.1115, p.32032

2018

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Theoretical investigations of nitrogen doping on Co3O4 for water dissociation catalytically activity

Journal of physics. Conference series, 2018-11, Vol.1115 (3)

2018

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First Principles Modeling of Oxygen Mobility in Perovskite SOFC Cathode and Oxygen Permeation Membrane Materials

ECS transactions, 2011, Vol.35 (1), p.823-830

2011

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First-principles modelling of radiation defects in advanced nuclear fuels

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2008-06, Vol.266 (12-13), p.2671-2675

2008

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The Structural Disorder and Lattice Stability of (Ba,Sr)(Co,Fe)O 3 Complex Perovskites

ECS transactions, 2011, Vol.35 (1), p.2077-2084

2011

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First principles calculations of oxygen vacancy formation and migration in mixed conducting Ba0.5Sr0.5Co1−yFeyO3−δ perovskites

Solid state ionics, 2011-04, Vol.188 (1), p.1-5

2011

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

Interatomic potential to study plastic deformation in tungsten-rhenium alloys

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

Interaction of carbon with microstructural defects in a W-Re matrix: An ab initio assessment

Trapping of hydrogen and helium at dislocations in tungsten: an ab initio study

Elastic properties of the sigma W-Re phase: A first principles investigation

First-Principles Modeling of Oxygen Adsorption on Ag-Doped LaMnO3 (001) Surface

Water interaction with perfect and fluorine-doped Co3O4 (100) surface

Ab initio modelling of titanium impurities in α-Fe lattice

Small radius electron and hole polarons in Pb X 2 ( X = F, Cl, Br) crystals: a computational study

Ab initio modelling of the Y, O, and Ti solute interaction in fcc-Fe matrix

First principles calculations of (Ba,Sr)(Co,Fe)O3−δ structural stability

Implementing first principles calculations of defect migration in a fuel performance code for UN simulations

First Principles Modeling of Pd-doped (La,Sr)(Co,Fe)O3 Complex Perovskites

First principles modelling of oxygen impurities in UN nuclear fuels

Small radius electron and hole polarons in PbX2 (X = F, Cl, Br) crystals: a computational study

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

First principles modeling of Ag adsorption on the LaMnO3 (001) surfaces

Radiation defects in complex perovskite solid solutions

Theoretical investigations of nitrogen doping on Co 3 O 4 for water dissociation catalytically activity

Theoretical investigations of nitrogen doping on Co3O4 for water dissociation catalytically activity

First Principles Modeling of Oxygen Mobility in Perovskite SOFC Cathode and Oxygen Permeation Membrane Materials

First-principles modelling of radiation defects in advanced nuclear fuels

The Structural Disorder and Lattice Stability of (Ba,Sr)(Co,Fe)O 3 Complex Perovskites

First principles calculations of oxygen vacancy formation and migration in mixed conducting Ba0.5Sr0.5Co1−yFeyO3−δ perovskites

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