From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

Journal of Catalysis

Volumn 328, Issue , 2015, Pages 36-42

  Medford, Andrew J ^a   Vojvodic, Aleksandra ^b   Hummelshøj, Jens S ^a   Voss, Johannes ^a   Abild Pedersen, Frank ^a   Studt, Felix ^a   Bligaard, Thomas ^a   Nilsson, Anders ^a   Nørskov, Jens K ^b  

^a Stanford University   (United States)

^b SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

Author keywords

Computational catalysis; Descriptor; DFT; Heterogeneous catalysis; Sabatier principle; Scaling relation; Theory; Transition metals

Indexed keywords

BOND STRENGTH (MATERIALS); CATALYSIS; CATALYST ACTIVITY; CATALYSTS; COMPUTATION THEORY; DESIGN FOR TESTABILITY; ELECTRONIC STRUCTURE; METALS;

DESCRIPTORS; DFT; SABATIER PRINCIPLES; SCALING RELATIONS; THEORY;

TRANSITION METALS;

EID: 84937888853     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2014.12.033     Document Type: Article

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