Hydration entropy of BaZrO3 from first principles phonon calculations

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

(2014) Andreas Løken et al.   SOLID STATE IONICS

Protons in acceptor doped langasite, La3Ga5SiO14

(2014) Tor Svendsen Bjørheim et al.   SOLID STATE IONICS

Proton trapping in yttrium-doped barium zirconate

(2013) Yoshihiro Yamazaki et al.   NATURE MATERIALS

Entropies of defect formation in ceria from first principles

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

Structural instability in BaZrO3 crystals: Calculations and experiment

(2013) A. I. Lebedev et al.   PHYSICS OF THE SOLID STATE

Hydration thermodynamics of pyrochlore structured oxides from TG and first principles calculations

(2012) Tor S. Bjørheim et al.   DALTON TRANSACTIONS

Jahn-Teller effect in the phonon properties of defective SrTiO3from first principles

(2012) Robert Evarestov et al.   PHYSICAL REVIEW B

Long-Range and Short-Range Structure of Proton-Conducting Y:BaZrO3

(2011) Francesco Giannici et al.   CHEMISTRY OF MATERIALS

Hybrid density functional theory LCAO calculations on phonons in Ba(Ti,Zr,Hf)3

(2011) Robert A. Evarestov   PHYSICAL REVIEW B

Phonon calculations in cubic and tetragonal phases of SrTiO3: A comparative LCAO and plane-wave study

(2011) Robert A. Evarestov et al.   PHYSICAL REVIEW B

A theoretical study of the influence of dopant concentration on the hydration properties of yttrium-doped barium cerate

(2011) Tania Tauer et al.   SOLID STATE IONICS

Determination of the enthalpy of hydration of oxygen vacancies in Y-doped BaZrO3 and BaCeO3 by TG-DSC

(2010) Christian Kjølseth et al.   SOLID STATE IONICS

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

Ground state structure ofBaZrO3: A comparative first-principles study

(2009) Ante Bilić et al.   PHYSICAL REVIEW B

A combined conductivity and DFT study of protons in PbZrO3 and alkaline earth zirconate perovskites

(2009) Tor S. Bjørheim 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