Electrocatalyst design from first principles: A hydrogen-production catalyst inspired by nature

Catalysis Today

Volumn 165, Issue 1, 2011, Pages 160-170

  Zipoli, Federico ^a   Car, Roberto ^a,b   Cohen, Morrel H ^a,c   Selloni, Annabella ^a  

^a PRINCETON UNIVERSITY   (United States)

^b Princeton University   (United States)

^c RUTGERS UNIVERSITY   (United States)

Author keywords

Electrocatalysis; First principles molecular dynamics; Hydrogen production

Indexed keywords

ACTIVE SITE; ELECTRODE SURFACES; FIRST PRINCIPLES MOLECULAR DYNAMICS; FIRST-PRINCIPLES; FUTURE DIRECTIONS; HYDROGENASE ENZYMES; IN-VACUUM; MOLECULAR DYNAMICS SIMULATIONS; PRODUCTION SYSTEM; SOLAR HYDROGEN; SPECIFIC ACTIVITY; SUSTAINABLE ECONOMICS;

CATHODES; COMPUTER SIMULATION; ELECTROCATALYSIS; ELECTROCATALYSTS; ENZYMES; MOLECULAR DYNAMICS; PHOSPHORUS; SOLAR POWER GENERATION; STRUCTURAL DESIGN;

HYDROGEN PRODUCTION;

EID: 79955382153     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2010.12.030     Document Type: Conference Paper

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