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Journal of Materials Chemistry

Volumn 22, Issue 9, 2012, Pages 3758-3763

First-principles studies of proton-Ba interactions in doped LaPO 4

(4) Adelstein, Nicole a,b Neaton, Jeffrey B b Asta, Mark a,b De Jonghe, Lutgard C a,b

a 210 Hearst Memorial Mining Building ^* (United States)

b LAWRENCE BERKELEY NATIONAL LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALIOVALENTS; BA-DOPING; CATION DOPANTS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES STUDY; HYDROGEN SEPARATION MEMBRANES; INTERACTION ENERGIES; OXYGEN IONS; PROTON CONDUCTING SOLID ELECTROLYTES; PROTON MOBILITY; STRAIN FIELDS; SUPER CELL;

BARIUM; BINDING ENERGY; HYDROGEN; PROTONS; QUANTUM CHEMISTRY; SOLID ELECTROLYTES;

DOPING (ADDITIVES);

EID: 84857067814 PISSN: 09599428 EISSN: 13645501 Source Type: Journal
DOI: 10.1039/c2jm16214h Document Type: Article

Times cited : (5)

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