Is ReO3 a mixed ionic–electronic conductor? A DFT study of defect formation and migration in a BVIO3 perovskite-type oxide

Limits to the rate of oxygen transport in mixed-conducting oxides

(2017) Roger A. De Souza   Journal of Materials Chemistry A

High Ionic Conductivity with Low Degradation in A-Site Strontium-Doped Nonstoichiometric Sodium Bismuth Titanate Perovskite

(2016) Fan Yang et al.   CHEMISTRY OF MATERIALS

Oxygen diffusion and surface exchange in the mixed conducting oxides SrTi1−yFeyO3−δ

(2016) Veronika Metlenko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Promoting oxygen vacancy formation and p-type conductivity in SrTiO3via alkali metal doping: a first principles study

(2016) Leonardo Triggiani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Factors controlling oxygen migration barriers in perovskites

(2016) Tam T. Mayeshiba et al.   SOLID STATE IONICS

Oxygen Diffusion in SrTiO3and Related Perovskite Oxides

(2015) R. A. De Souza   ADVANCED FUNCTIONAL MATERIALS

Interpreting oxygen vacancy migration mechanisms in oxides using the layered structure motif

(2015) Blas Pedro Uberuaga et al.   COMPUTATIONAL MATERIALS SCIENCE

Understanding Oxygen-Vacancy Migration in the Fluorite Oxide CeO2: An Ab Initio Study of Impurity-Anion Migration

(2015) Annalena R. Genreith-Schriever et al.   Journal of Physical Chemistry C

Complex behaviour of vacancy point-defects in SrRuO3 thin films

(2015) Henning Schraknepper et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Implications of the band gap problem on oxidation and hydration in acceptor-doped barium zirconate

(2015) Anders Lindman et al.   PHYSICAL REVIEW B

Structural and functional properties of SrTi 1−x Fe x O 3−δ (0 ⩽ x ⩽ 1) for the use as oxygen transport membrane

(2015) F. Schulze-Küppers et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Spectromicroscopic insights for rational design of redox-based memristive devices

(2015) Christoph Baeumer et al.   Nature Communications

First-principles study of lattice stability of ReO3-type hypothetical TaO3

(2014) C. Ravi et al.   COMPUTATIONAL MATERIALS SCIENCE

Oxide enthalpy of formation and band gap energy as accurate descriptors of oxygen vacancy formation energetics

(2014) Ann M. Deml et al.   Energy & Environmental Science

Do dislocations act as atomic autobahns for oxygen in the perovskite oxide SrTiO3?

(2014) Veronika Metlenko et al.   Nanoscale

Finite-size versus interface-proximity effects in thin-film epitaxialSrTiO3

(2014) R. A. De Souza et al.   PHYSICAL REVIEW B

Ab Initio DFT+U Analysis of Oxygen Vacancy Formation and Migration in La1-xSrxFeO3-δ (x = 0, 0.25, 0.50)

(2013) Andrew M. Ritzmann et al.   CHEMISTRY OF MATERIALS

Oxygen-vacancy-related dielectric relaxations in SrTiO3 at high temperatures

(2013) C. C. Wang et al.   JOURNAL OF APPLIED PHYSICS

A family of oxide ion conductors based on the ferroelectric perovskite Na0.5Bi0.5TiO3

(2013) Ming Li et al.   NATURE MATERIALS

Interstitial and vacancy mediated transport mechanisms in perovskites: A comparison of chemistry and potentials

(2013) Blas Pedro Uberuaga et al.   SOLID STATE IONICS

A generalized solid-state nudged elastic band method

(2012) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS

Formation and migration of oxygen vacancies in La1−xSrxCo1−yFeyO3−δperovskites: insight from ab initio calculations and comparison with Ba1−xSrxCo1−yFeyO3−δ

(2012) Yuri A. Mastrikov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Behavior of oxygen vacancies in single-crystal SrTiO3: Equilibrium distribution and diffusion kinetics

(2012) Roger A. De Souza et al.   PHYSICAL REVIEW B

Emerging memories: resistive switching mechanisms and current status

(2012) Doo Seok Jeong et al.   REPORTS ON PROGRESS IN PHYSICS

WO3 hollow nanospheres for high-lithium storage capacity and good cyclability

(2012) Manickam Sasidharan et al.   Nano Energy

Quantum-mechanics-based design principles for solid oxide fuel cell cathode materials

(2011) Michele Pavone et al.   Energy & Environmental Science

Oxygen diffusion in solid oxide fuel cell cathode and electrolyte materials: mechanistic insights from atomistic simulations

(2011) Alexander Chroneos et al.   Energy & Environmental Science

Development of a high-performance anode for lithium ion batteries using novel ordered mesoporous tungsten oxide materials with high electrical conductivity

(2011) Songhun Yoon et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Strontium migration assisted by oxygen vacancies in SrTiO3from classical and quantum mechanical simulations

(2011) Aron Walsh et al.   PHYSICAL REVIEW B

Identification ofA- andB-Site Cation Vacancy Defects in Perovskite Oxide Thin Films

(2010) D. J. Keeble et al.   PHYSICAL REVIEW LETTERS

Redox-Based Resistive Switching Memories - Nanoionic Mechanisms, Prospects, and Challenges

(2009) Rainer Waser et al.   ADVANCED MATERIALS

Nanostructured WO3 thin film as a new anode material for lithium-ion batteries

(2009) Wen-Jing Li et al.   APPLIED SURFACE SCIENCE

An atomistic simulation study of oxygen-vacancy migration in perovskite electrolytes based on LaGaO3

(2009) Roger A. De Souza et al.   MONATSHEFTE FUR CHEMIE

Comment on "Colossal Ionic Conductivity at Interfaces of Epitaxial ZrO2:Y2O3/SrTiO3 Heterostructures"

(2009) X. Guo   SCIENCE

Investigation of Cathode Behavior of Model Thin-Film SrTi[sub 1−x]Fe[sub x]O[sub 3−δ] (x=0.35 and 0.5) Mixed Ionic-Electronic Conducting Electrodes

(2008) WooChul Jung et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Negative thermal expansion ofReO3: Neutron diffraction experiments and dynamical lattice calculations

(2008) Tapan Chatterji et al.   PHYSICAL REVIEW B