A blend of first-principles and kinetic lattice Monte Carlo computation to optimize samarium-doped ceria

Kinetic lattice Monte Carlo model for oxygen vacancy diffusion in praseodymium doped ceria: Applications to materials design

(2011) Pratik P. Dholabhai et al.   JOURNAL OF SOLID STATE CHEMISTRY

Predicting the optimal dopant concentration in gadolinium doped ceria: a kinetic lattice Monte Carlo approach

(2011) Pratik P Dholabhai et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

A DFT+U study of defect association and oxygen migration in samarium-doped ceria

(2011) Arif Ismail et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Co-doped ceria-based solid solution in the CeO2–M2O3–CaO, M=Sm, Gd system

(2010) Magdalena Dudek et al.   ELECTROCHIMICA ACTA

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

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

Computational insights into the nature of increased ionic conductivity in concentrated samarium-doped ceria: a genetic algorithm study

(2010) James Hooper et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A density functional study of defect migration in gadolinium doped ceria

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

Genetic algorithm based approach to investigate doped metal oxide materials: Application to lanthanide-doped ceria

(2010) James Hooper et al.   PHYSICAL REVIEW B

Improved electrical conductivity of Ce0.9Gd0.1O1.95 and Ce0.9Sm0.1O1.95 by co-doping

(2009) Bin Li et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

First-principles study on defect chemistry and migration of oxide ions in ceria doped with rare-earth cations

(2009) Masanobu Nakayama et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Oxygen-vacancy ordering in lanthanide-doped ceria: Dopant-type dependence and structure model

(2008) Ding Rong Ou et al.   PHYSICAL REVIEW B

Higher conductivity Sm3+ and Nd3+ co-doped ceria-based electrolyte materials

(2008) S OMAR et al.   SOLID STATE IONICS

Atomistic calculation of association energy in doped ceria

(2008) Xi Wei et al.   SOLID STATE IONICS