An ab initio study of the oxygen defect formation and oxide ion migration in (Sr1-xPrx)2FeO4±δ

Ru/Nb co-doped perovskite anode: Achieving good coking resistance in hydrocarbon fuels via core-shell nanocatalysts exsolution

(2021) Mingxia Qin et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

In-situ exsolved NiFe alloy nanoparticles on Pr0.8Sr1.2(NiFe)O4-δ for direct hydrocarbon fuel solid oxide fuel cells

(2020) Ting Tan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Development of lanthanum strontium cobalt ferrite perovskite electrodes of solid oxide fuel cells – A review

(2019) San Ping Jiang   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Equilibrium point defect and charge carrier concentrations in a material determined through calculation of the self-consistent Fermi energy

(2019) J. Buckeridge   COMPUTER PHYSICS COMMUNICATIONS

Phase Identification of the Layered Perovskite CexSr2–xMnO4 and Application for Solar Thermochemical Water Splitting

(2019) Debora R. Barcellos et al.   INORGANIC CHEMISTRY

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

(2018) Danny Broberg et al.   COMPUTER PHYSICS COMMUNICATIONS

Mechanistic Analysis of Oxygen Vacancy Formation and Ionic Transport in Sr3Fe2O7−δ

(2018) Tadashi Ota et al.   Journal of Physical Chemistry C

Factors controlling oxygen interstitial diffusion in the Ruddlesden-Popper oxide La2-xSrxNiO4+

(2018) Shenzhen Xu et al.   CHEMISTRY OF MATERIALS

A first-principles study on divergent reactions of using a Sr3Fe2O7 cathode in both oxygen ion conducting and proton conducting solid oxide fuel cells

(2018) Wenzhou Tan et al.   RSC Advances

In situ preparation of a La1.2Sr0.8Mn0.4Fe0.6O4 Ruddlesden–Popper phase with exsolved Fe nanoparticles as an anode for SOFCs

(2017) Yong Sik Chung et al.   Journal of Materials Chemistry A

High-Performanced Cathode with a Two-Layered R–P Structure for Intermediate Temperature Solid Oxide Fuel Cells

(2016) Daoming Huan et al.   ACS Applied Materials & Interfaces

Defects and Oxide Ion Migration in the Solid Oxide Fuel Cell Cathode Material LaFeO3

(2016) Felicity H. Taylor et al.   CHEMISTRY OF MATERIALS

A perspective on low-temperature solid oxide fuel cells

(2016) Zhan Gao et al.   Energy & Environmental Science

Oxygen Point Defect Chemistry in Ruddlesden–Popper Oxides (La1–xSrx)2MO4±δ (M = Co, Ni, Cu)

(2016) Wei Xie et al.   Journal of Physical Chemistry Letters

Density functional theory + U analysis of the electronic structure and defect chemistry of LSCF (La0.5Sr0.5Co0.25Fe0.75O3−δ)

(2016) Andrew M. Ritzmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

B-site Mo-doped perovskite Pr 0.4 Sr 0.6 (Co 0.2 Fe 0.8 ) 1−x Mo x O 3−σ ( x  = 0, 0.05, 0.1 and 0.2) as electrode for symmetrical solid oxide fuel cell

(2015) Peng Zhang et al.   JOURNAL OF POWER SOURCES

Oxygen Reduction Reaction Kinetics in Sr-Doped La2NiO4+  Ruddlesden-Popper Phase as Cathode for Solid Oxide Fuel Cells

(2015) B. Guan et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Mechanisms of methane decomposition and carbon species oxidation on the Pr0.42Sr0.6Co0.2Fe0.7Nb0.1O3−σ electrode with high catalytic activity

(2015) Peng Zhang et al.   Journal of Materials Chemistry A

In situ fabrication of CoFe alloy nanoparticles structured (Pr0.4Sr0.6)3(Fe0.85Nb0.15)2O7 ceramic anode for direct hydrocarbon solid oxide fuel cells

(2015) Chenghao Yang et al.   Nano Energy

Oxygen Transport in Perovskite-Type Solid Oxide Fuel Cell Materials: Insights from Quantum Mechanics

(2014) Ana B. Muñoz-García et al.   ACCOUNTS OF CHEMICAL RESEARCH

Theoretical Investigation of H2 Oxidation on the Sr2Fe1.5Mo0.5O6 (001) Perovskite Surface under Anodic Solid Oxide Fuel Cell Conditions

(2014) Suwit Suthirakun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O7−δ

(2014) Isao Kagomiya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrostatics-based finite-size corrections for first-principles point defect calculations

(2014) Yu Kumagai et al.   PHYSICAL REVIEW B

Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations

(2014) Lianhua He 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

High performance solid oxide electrolysis cells using Pr0.8Sr1.2(Co,Fe)0.8Nb0.2O4+δ–Co–Fe alloy hydrogen electrodes

(2013) Chenghao Yang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Interaction of La2NiO4 (100) Surface with Oxygen Molecule: A First-Principles Study

(2013) Jun Zhou et al.   Journal of Physical Chemistry C

Rational design of mixed ionic and electronic conducting perovskite oxides for solid oxide fuel cell anode materials: A case study for doped SrTiO3

(2013) Suwit Suthirakun et al.   JOURNAL OF POWER SOURCES

Sulfur-Tolerant Redox-Reversible Anode Material for Direct Hydrocarbon Solid Oxide Fuel Cells

(2012) Chenghao Yang et al.   ADVANCED MATERIALS

Impact of Sr segregation on the electronic structure and oxygen reduction activity of SrTi1−xFexO3 surfaces

(2012) Yan Chen et al.   Energy & Environmental Science

Vacancy and interstitial oxide ion migration in heavily doped La2−xSrxCoO4±δ

(2012) Cristina Tealdi et al.   JOURNAL OF MATERIALS CHEMISTRY

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Sr2Fe1.5Mo0.5O6 as Cathodes for Intermediate-Temperature Solid Oxide Fuel Cells with La0.8Sr0.2Ga0.87Mg0.13O3 Electrolyte

(2011) Guoliang Xiao et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

A Novel Electrode Material for Symmetrical SOFCs

(2010) Qiang Liu et al.   ADVANCED MATERIALS

La2NiO4+δ as cathode for SOFC: Reactivity study with YSZ and CGO electrolytes

(2010) A. Montenegro Hernández et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Modeling the noble metal/TiO2 (110) interface with hybrid DFT functionals: A periodic electrostatic embedded cluster model study

(2010) Salai Cheettu Ammal et al.   JOURNAL OF CHEMICAL PHYSICS

Electrostatic interactions between charged defects in supercells

(2010) Christoph Freysoldt et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Obtaining correct orbital ground states inf-electron systems using a nonspherical self-interaction-correctedLDA+Umethod

(2009) Fei Zhou et al.   PHYSICAL REVIEW B

FullyAb InitioFinite-Size Corrections for Charged-Defect Supercell Calculations

(2009) Christoph Freysoldt et al.   PHYSICAL REVIEW LETTERS

Enhanced Sulfur and Coking Tolerance of a Mixed Ion Conductor for SOFCs: BaZr0.1Ce0.7Y0.2-xYbxO3- 

(2009) L. Yang et al.   SCIENCE

Intermediate temperature solid oxide fuel cells

(2008) Daniel J. L. Brett et al.   CHEMICAL SOCIETY REVIEWS

Mixed ionic–electronic conducting (MIEC) ceramic-based membranes for oxygen separation

(2008) J. Sunarso et al.   JOURNAL OF MEMBRANE SCIENCE

PBE+Ucalculations of the Jahn-Teller effect inPrO2

(2008) Fabien Tran et al.   PHYSICAL REVIEW B

Structural instability of cubic perovskite BaxSr1−xCo1−yFeyO3−δ

(2008) S SVARCOVA   SOLID STATE IONICS