Defect segregation to grain boundaries in BaZrO3 from first-principles free energy calculations

Methane steam reforming at low temperatures in a BaZr0.7Ce0.2Y0.1O2.9 proton conducting membrane reactor

(2016) V. Kyriakou et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Surface Segregation Entropy of Protons and Oxygen Vacancies in BaZrO3

(2016) Tor S. Bjørheim et al.   CHEMISTRY OF MATERIALS

Probing Grain-Boundary Chemistry and Electronic Structure in Proton-Conducting Oxides by Atom Probe Tomography

(2016) Daniel R. Clark et al.   NANO LETTERS

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

(2016) Marco Arrigoni et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct conversion of methane to aromatics in a catalytic co-ionic membrane reactor

(2016) S. H. Morejudo et al.   SCIENCE

Proton segregation and space-charge at the BaZrO3 (0 0 1)/MgO (0 0 1) heterointerface

(2016) Jonathan M. Polfus et al.   SOLID STATE IONICS

On the relationship between chemical expansion and hydration thermodynamics of proton conducting perovskites

(2016) Tor S. Bjørheim et al.   Journal of Materials Chemistry A

Surface defect chemistry of Y-substituted and hydrated BaZrO3 with subsurface space-charge regions

(2016) Jonathan M. Polfus et al.   Journal of Materials Chemistry A

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

(2015) Tor S. Bjørheim et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Readily processed protonic ceramic fuel cells with high performance at low temperatures

(2015) C. Duan et al.   SCIENCE

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Calculation of proton conductivity at the Σ3111/11¯0 tilt grain boundary of barium zirconate using density functional theory

(2015) Jin-Hoon Yang et al.   SOLID STATE IONICS

Size and shape of oxygen vacancies and protons in acceptor-doped barium zirconate

(2015) Erik Jedvik et al.   SOLID STATE IONICS

Reaction Rate Enhancement During the Electrocatalytic Synthesis of Ammonia in a BaZr0.7Ce0.2Y0.1O2.9 Solid Electrolyte Cell

(2015) E. Vasileiou et al.   TOPICS IN CATALYSIS

Hydration entropy of BaZrO3 from first principles phonon calculations

(2015) Tor S. Bjørheim et al.   Journal of Materials Chemistry A

High activation energy for proton migration at tilt grain boundary in barium zirconate

(2013) Jin-Hoon Yang et al.   SOLID STATE IONICS

Theoretical modeling of defect segregation and space-charge formation in the BaZrO3 (210)[001] tilt grain boundary

(2013) Anders Lindman et al.   SOLID STATE IONICS

High spatially resolved cation concentration profile at the grain boundaries of Sc-doped BaZrO3

(2013) M. Shirpour et al.   SOLID STATE IONICS

Computational investigation of defect segregation at the (001) surface of BaCeO3 and BaZrO3: the role of metal–oxygen bond strength in controlling vacancy segregation

(2013) Tania Tauer et al.   Journal of Materials Chemistry A

Oxygen vacancy segregation and space-charge effects in grain boundaries of dry and hydrated BaZrO3

(2012) B. Joakim Nyman et al.   APPLIED PHYSICS LETTERS

Origin of Space Charge in Grain Boundaries of Proton-Conducting BaZrO3

(2012) E. E. Helgee et al.   Fuel Cells

Dopant Segregation and Space Charge Effects in Proton-Conducting BaZrO3 Perovskites

(2012) Mona Shirpour et al.   Journal of Physical Chemistry C

Defect chemistry of a BaZrO3 Σ3 (111) grain boundary by first principles calculations and space–charge theory

(2012) Jonathan M. Polfus et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Oxygen vacancy segregation in grain boundaries of BaZrO3 using interatomic potentials

(2012) Anders Lindman et al.   SOLID STATE IONICS

Towards the Next Generation of Solid Oxide Fuel Cells Operating Below 600 °C with Chemically Stable Proton-Conducting Electrolytes

(2011) Emiliana Fabbri et al.   ADVANCED MATERIALS

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

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

On the origin of the blocking effect of grain-boundaries on proton transport in yttrium-doped barium zirconates

(2011) Chien-Ting Chen et al.   JOURNAL OF MATERIALS CHEMISTRY

Proton transport properties at the grain boundary of barium zirconate based proton conductors for intermediate temperature operating SOFC

(2010) Fumitada Iguchi et al.   JOURNAL OF MATERIALS CHEMISTRY

Atomic-scale characterization of theSrTiO3Σ3(112)[1¯10]grain boundary

(2010) K. J. Dudeck et al.   PHYSICAL REVIEW B

Space–charge theory applied to the grain boundary impedance of proton conducting BaZr0.9Y0.1O3−δ

(2010) Christian Kjølseth et al.   SOLID STATE IONICS

High Total Proton Conductivity in Large-Grained Yttrium-Doped Barium Zirconate

(2009) Yoshihiro Yamazaki et al.   CHEMISTRY OF MATERIALS