First-Principles Simulation of the Active Sites and Reaction Environment in Electrocatalysis

Fuel Cell Catalysis: A Surface Science Approach

Volumn , Issue , 2008, Pages 93-128

  Janik, Michael J ^a   Wasileski, Sally A ^b   Taylor, Christopher D ^c   Neurock, Matthew ^d  

^a The Pennsylvania State University   (United States)

^b UNIVERSITY OF NORTH CAROLINA AT ASHEVILLE   (United States)

^c LOS ALAMOS NATIONAL LABORATORY   (United States)

^d UNIVERSITY OF VIRGINIA   (United States)

Author keywords

Change in dipole and interfacial capacitance role; Density functional theory to electrochemical systems; First principles simulation of active sites and reaction environment

Indexed keywords

EID: 78049360287     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9780470463772.ch4     Document Type: Chapter

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