Detailed first-principles models of hydrogen permeation through PdCu-based ternary alloys

Journal of Membrane Science

Volumn 362, Issue 1-2, 2010, Pages 384-392

  Semidey Flecha, Lymarie ^a   Ling, Chen ^a   Sholl, David S ^a  

^a Georgia Institute of Technology   (United States)

Author keywords

First principles calculations; Hydrogen; Metal membranes

Indexed keywords

CLUSTER EXPANSION; CLUSTER EXPANSION METHOD; DIFFUSIVITIES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES MODEL; HYDROGEN PERMEANCE; HYDROGEN PERMEATION; HYDROGEN PRESSURES; METAL MEMBRANE; METAL MEMBRANES; QUANTUM CHEMISTRY CALCULATIONS; TEMPERATURE RANGE;

CERIUM ALLOYS; COPPER ALLOYS; HYDROGEN; PALLADIUM; PERMEATION; PLATINUM; RHODIUM; TERNARY ALLOYS; TERNARY SYSTEMS;

BINARY ALLOYS;

ALLOY; COPPER; HYDROGEN; LEAD; NICKEL; PLATINUM; RHODIUM; SILVER;

ARTICLE; KINETICS; MEMBRANE PERMEABILITY; MONTE CARLO METHOD; PRIORITY JOURNAL; SOLUBILITY;

EID: 77955717240     PISSN: 03767388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.memsci.2010.06.063     Document Type: Article

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