Unravelling the fundamentals of thermal and chemical expansion of BaCeO3 from first principles phonon calculations

Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr0.7Ce0.2Y0.1O3−δ Proton Conductor

(2016) Glenn C. Mather et al.   CHEMISTRY OF MATERIALS

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

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

Alkali metals as efficient A-site acceptor dopants in proton conducting BaZrO3

(2016) Andreas Løken et al.   Journal of Materials Chemistry A

Insights on thermal and transport features of BaCe 0.8−x Zr x Y 0.2 O 3−δ proton-conducting materials

(2015) J. Lagaeva et al.   JOURNAL OF POWER SOURCES

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

Understanding chemical expansion in perovskite-structured oxides

(2015) Dario Marrocchelli et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermal expansion of materials in the barium cerate-zirconate system

(2015) Yu. G. Lyagaeva et al.   PHYSICS OF THE SOLID STATE

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

First-principle calculations of the thermal properties of SrTiO 3 and SrO(SrTiO 3 ) n ( n =1,2)

(2015) Yanli Lu et al.   SOLID STATE COMMUNICATIONS

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

(2015) Erik Jedvik et al.   SOLID STATE IONICS

Hydration entropy of BaZrO3 from first principles phonon calculations

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

The pivotal role of the dopant choice on the thermodynamics of hydration and associations in proton conducting BaCe0.9X0.1O3−δ (X = Sc, Ga, Y, In, Gd and Er)

(2015) Andreas Løken et al.   Journal of Materials Chemistry A

Chemical Expansion: Implications for Electrochemical Energy Storage and Conversion Devices

(2014) S.R. Bishop et al.   Annual Review of Materials Research

Chemical Expansion Due to Hydration of Proton-Conducting Perovskite Oxide Ceramics

(2014) Annika K. E. Andersson et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Electrical conductivity and TG-DSC study of hydration of Sc-doped CaSnO3 and CaZrO3

(2014) Andreas Løken et al.   SOLID STATE IONICS

Reducing the chemical expansion coefficient in ceria by addition of zirconia

(2013) S. R. Bishop et al.   Energy & Environmental Science

Chemical Expansion and Change in Lattice Constant of Y-Doped BaZrO3by Hydration/Dehydration Reaction and Final Heat-Treating Temperature

(2013) Chihiro Hiraiwa et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Entropies of defect formation in ceria from first principles

(2013) Steffen Grieshammer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initiocalculations on the defect structure ofβ-Ga2O3

(2013) T. Zacherle et al.   PHYSICAL REVIEW B

Chemical expansion and its dependence on the host cation radius

(2013) Dario Marrocchelli et al.   Journal of Materials Chemistry A

Understanding Chemical Expansion in Non-Stoichiometric Oxides: Ceria and Zirconia Case Studies

(2012) Dario Marrocchelli et al.   ADVANCED FUNCTIONAL MATERIALS

Thermodynamics of hydration and oxidation in the proton conductor Gd-doped barium cerate from density functional theory calculations

(2012) Jessica Hermet et al.   PHYSICAL REVIEW B

First-principles phonon calculations of thermal expansion inTi3SiC2,Ti3AlC2, andTi3GeC2

(2010) Atsushi Togo et al.   PHYSICAL REVIEW B

Formation entropies of intrinsic point defects in cubic In2O3 from first-principles density functional theory calculations

(2009) Péter Ágoston et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Analysis of phase transition behavior of BaCeO3 with thermal analyses and high temperature X-ray diffraction

(2009) Takeshi Ohzeki et al.   SOLID STATE IONICS

Defect structure analysis of B-site doped perovskite-type proton conducting oxide BaCeO3 Part 1: The defect concentration of BaCe0.9M0.1O3−δ (M=Y and Yb)

(2009) Masatsugu Oishi et al.   SOLID STATE IONICS

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

Oxygen nonstoichiometry of the perovskite-type oxides BaCe0.9M0.1O3−δ (MY, Yb, Sm, Tb, and Nd)

(2008) M OISHI et al.   SOLID STATE IONICS