First-principles design of hydrogen dissociation catalysts based on isoelectronic metal solid solutions

Journal of Physical Chemistry Letters

Volumn 5, Issue 11, 2014, Pages 1819-1824

  Seo, Dong Hwa ^a,d   Shin, Hyeyoung ^b   Kang, Kisuk ^a   Kim, Hyungjun ^b   Han, Sang Soo ^c  

^a Seoul National University   (South Korea)

^b Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

^c Korea Institute of Science and Technology   (South Korea)

^d Massachusetts Institute of Technology   (United States)

Author keywords

catalyst; electronic structure; hydrogen dissociation; hydrogen storage; IrAu alloy; RhAg alloy

Indexed keywords

ALLOYS; CALCULATIONS; CATALYSTS; DISSOCIATION; ELECTRONIC STRUCTURE; HYDROGEN; HYDROGEN STORAGE; IRIDIUM; PALLADIUM; PLATINUM; RHODIUM; SILVER; SILVER ALLOYS; SOLID SOLUTIONS;

CONSTITUENT ELEMENTS; DISSOCIATION REACTIONS; FIRST-PRINCIPLES CALCULATION; HIGHER-ENERGY BARRIERS; HYDROGEN DISSOCIATION; HYDROGEN STORAGE PROPERTIES; METAL SOLID SOLUTIONS; PERIODIC TABLE;

PLATINUM ALLOYS;

EID: 84902113744     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz500496e     Document Type: Article

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