Structure of Ce1-x Snx O2 and its relation to oxygen storage property from first-principles analysis

Journal of Chemical Physics

Volumn 132, Issue 19, 2010, Pages

  Gupta, Asha ^a   Kumar, Anil ^b   Hegde, M S ^a   Waghmare, U V ^b  

^a INDIAN INSTITUTE OF SCIENCE   (India)

^b JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BOND VALENCE ANALYSIS; BOND VALENCES; BORN EFFECTIVE CHARGE; DENSITY-FUNCTIONAL CALCULATIONS; DOPED STRUCTURES; FIRST-PRINCIPLES; FLUORITE STRUCTURE; LOCAL COORDINATION; LOCAL DISTORTION; OPTIMIZED STRUCTURES; OXYGEN IONS; OXYGEN STORAGE; PHONON DISPERSIONS; RELATIVE ENERGIES; RUTILE PHASIS; RUTILE STRUCTURE; STRUCTURAL DISTORTIONS; STRUCTURAL STABILITIES;

CERIUM; CERIUM COMPOUNDS; CRYSTALLIZATION; DOPING (ADDITIVES); FLUORSPAR; IONS; OXIDE MINERALS; OXYGEN; SOLID SOLUTIONS; SOLIDIFICATION; STABILITY; STRUCTURAL ANALYSIS;

TIN;

EID: 77952989626     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3425662     Document Type: Article

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