A dipole polarizable potential for reduced and doped CeO2obtained from first principles

Structural Disorder in Doped Zirconias, Part I: The Zr0.8Sc0.2−xYxO1.9(0.0 ≤x≤ 0.2) System

(2011) Stefan T. Norberg et al.   CHEMISTRY OF MATERIALS

Structural Disorder in Doped Zirconias, Part II: Vacancy Ordering Effects and the Conductivity Maximum.

(2011) Dario Marrocchelli et al.   CHEMISTRY OF MATERIALS

Local Structure and Strain-Induced Distortion in Ce0.8Gd0.2O1.9

(2010) Anna Kossoy et al.   ADVANCED MATERIALS

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

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

High-pressure behaviour of GeO2: a simulation study

(2010) Dario Marrocchelli et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A critical assessment of interatomic potentials for ceria with application to its elastic properties

(2010) Haixuan Xu (徐海譞) et al.   SOLID STATE IONICS

Influence of Point-Defect Reaction Kinetics on the Lattice Parameter of Ce0.8Gd0.2O1.9

(2009) Anna Kossoy et al.   ADVANCED FUNCTIONAL MATERIALS

Materials for Solid Oxide Fuel Cells†

(2009) Allan J. Jacobson   CHEMISTRY OF MATERIALS

Exploring Ce[sup 3+]/Ce[sup 4+] cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations

(2009) Annapaola Migani et al.   JOURNAL OF CHEMICAL PHYSICS

Local structure and ionic conductivity in the Zr2Y2O7–Y3NbO7system

(2009) Stefan T Norberg et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Cation composition effects on oxide conductivity in the Zr2Y2O7–Y3NbO7system

(2009) Dario Marrocchelli et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Oxygen vacancy ordering within anion-deficient Ceria

(2009) S. Hull et al.   JOURNAL OF SOLID STATE CHEMISTRY

The construction of a reliable potential for GeO2 from first principles

(2009) D. Marrocchelli et al.   MOLECULAR PHYSICS

Water adsorption on the stoichiometric and reduced CeO2(111) surface: a first-principles investigation

(2009) Marco Fronzi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density-Functional Calculations of the Structure of Near-Surface Oxygen Vacancies and Electron Localization onCeO2(111)

(2009) M. Verónica Ganduglia-Pirovano et al.   PHYSICAL REVIEW LETTERS