Thermodynamic stability of LaMnO3and its competing oxides: A hybrid density functional study of an alkaline fuel cell catalyst

Chemistry of defect induced photoluminescence in chalcopyrites: The case of CuAlS2

(2011) Leandro M. Liborio et al.   JOURNAL OF APPLIED PHYSICS

Half-metallicity in the ferrimagnetNb(TCNE)2from first principles

(2010) Giulia C. De Fusco et al.   PHYSICAL REVIEW B

Defect physics ofCuGaS2

(2010) Christine L. Bailey et al.   PHYSICAL REVIEW B

Effects of Doping on Electronic Structure and Correlations in Carbon Peapods

(2009) Ling Ge et al.   ACS Nano

Tailoring the Morphology of LiCoO2: A First Principles Study

(2009) Denis Kramer et al.   CHEMISTRY OF MATERIALS

Prediction of O2 Dissociation Kinetics on LaMnO3-Based Cathode Materials for Solid Oxide Fuel Cells

(2009) YongMan Choi et al.   Journal of Physical Chemistry C

Thermodynamic, thermogravimetric and permittivity studies of hausmannite (Mn3O4) in air

(2009) R. K. Amankwah et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Density functional study of the magnetic coupling inV(TCNE)2

(2009) Giulia C. De Fusco et al.   PHYSICAL REVIEW B

Electronic structure of theTi4O7Magnéli phase

(2009) Leandro Liborio et al.   PHYSICAL REVIEW B

Review of gas diffusion cathodes for alkaline fuel cells

(2008) F. Bidault et al.   JOURNAL OF POWER SOURCES

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

Lattice distortion effect on structure and on spin ordering of Mn ions inLa1−xNdxMnO3+δmanganites

(2008) V. Dyakonov et al.   PHYSICAL REVIEW B

Electronic structure and thermodynamic stability ofLaMnO3andLa1−xSrxMnO3(001) surfaces:Ab initiocalculations

(2008) Sergei Piskunov et al.   PHYSICAL REVIEW B

Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces

(2008) Yu.A. Mastrikov et al.   SURFACE SCIENCE