Ab initio and empirical defect modeling of LaMnO3±δfor solid oxidefuel cell cathodes

Pathways for Oxygen Incorporation in Mixed Conducting Perovskites: A DFT-Based Mechanistic Analysis for (La, Sr)MnO3−δ

(2010) Yuri A. Mastrikov et al.   Journal of Physical Chemistry C

Oxygen nonstoichiometry, defect structure and defect-induced expansion of undoped perovskite LaMnO3±δ

(2010) A.Yu. Zuev et al.   SOLID STATE IONICS

Density functional theory calculations of defect energies using supercells

(2009) C W M Castleton et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Issues in first-principles calculations for defects in semiconductors and oxides

(2009) Risto M Nieminen   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Ab initioenergetics ofLaBO3(001)(B=Mn, Fe, Co, and Ni) for solid oxide fuel cell cathodes

(2009) Yueh-Lin Lee et al.   PHYSICAL REVIEW B

Adsorption of atomic and molecular oxygen on the LaMnO3(001) surface: ab initio supercell calculations and thermodynamics

(2008) Eugene A. Kotomin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Refinement of the bulk defect model for LaxSr1−xMnO3±δ☆

(2008) D MEBANE   SOLID STATE IONICS