Entropies of defect formation in ceria from first principles

Ab initiocalculations on the defect structure ofβ-Ga2O3

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

Ab initioanalysis of the defect structure of ceria

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

Switching Behavior in Rare-Earth Films Fabricated in Full Room Temperature

(2012) Tung-Ming Pan et al.   IEEE TRANSACTIONS ON ELECTRON DEVICES

GGA+U method from first principles: application to reduction–oxidation properties in ceria-based oxides

(2012) Amra Peles   JOURNAL OF MATERIALS SCIENCE

Oxygen level: the dominant of resistive switching characteristics in cerium oxide thin films

(2012) Adnan Younis et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

A concerted migration mechanism of mixed oxide ion and electron conduction in reduced ceria studied by first-principles density functional theory

(2012) Masanobu Nakayama et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2012) Robert Evarestov et al.   PHYSICAL REVIEW B

Ab initiothermodynamics of intrinsic oxygen vacancies in ceria

(2012) Chirranjeevi Balaji Gopal et al.   PHYSICAL REVIEW B

Electronically blocking grain boundaries in donor doped cerium dioxide

(2012) Marcus C. Göbel et al.   SOLID STATE IONICS

Electrode engineering for improving resistive switching performance in single crystalline CeO2 thin films

(2012) Zhaoliang Liao et al.   SOLID-STATE ELECTRONICS

Materials-Related Aspects of Thermochemical Water and Carbon Dioxide Splitting: A Review

(2012) Martin Roeb et al.   Materials

Analysis of Intrinsic Defects in CeO2 Using a Koopmans-Like GGA+U Approach

(2011) Patrick R. L. Keating et al.   Journal of Physical Chemistry C

Advancing density functional theory to finite temperatures: methods and applications in steel design

(2011) T Hickel et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Free energy of defect formation: Thermodynamics of anion Frenkel pairs in indium oxide

(2011) Aron Walsh et al.   PHYSICAL REVIEW B

Template-assisted formation of microsized nanocrystalline CeO2tubes and their catalytic performance in the carboxylation of methanol

(2011) Jörg J Schneider et al.   Beilstein Journal of Nanotechnology

Ab Initio Thermochemistry of Solid-State Materials

(2010) Ralf Peter Stoffel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Tailoring Material Properties through Defect Engineering

(2010) Harry L. Tuller et al.   CHEMISTRY LETTERS

Oxygen vacancy migration in ceria and Pr-doped ceria: A DFT+U study

(2010) Pratik P. Dholabhai et al.   JOURNAL OF CHEMICAL PHYSICS

A density functional study of defect migration in gadolinium doped ceria

(2010) Pratik P. Dholabhai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hybrid density-functional calculations of phonons inLaCoO3

(2010) Denis Gryaznov et al.   PHYSICAL REVIEW B

High-Flux Solar-Driven Thermochemical Dissociation of CO2 and H2O Using Nonstoichiometric Ceria

(2010) W. C. Chueh et al.   SCIENCE

Potential energy landscapes for anion Frenkel-pair formation in ceria and india

(2010) Aron Walsh 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

Electrochemical studies of capacitance in cerium oxide thin films and its relationship to anionic and electronic defect densities

(2009) William C. Chueh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

VESTA: a three-dimensional visualization system for electronic and structural analysis

(2008) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Free energy of bcc iron: Integratedab initioderivation of vibrational, electronic, and magnetic contributions

(2008) F. Körmann et al.   PHYSICAL REVIEW B