Descriptors controlling the catalytic activity of metallic surfaces toward water splitting

Periodic density functional theory (DFT) calculations have been used to unravel the existence of Bronsted-Evans-Polanyi (BEP) relationships for water dissociation on metallic surfaces which constitutes the rate determining step for the technologically important water gas shift reaction In addition i...

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Bibliographic Details
Main Author: Jose L C Fajin (author)
Other Authors: Natalia N D S Cordeiro (author), Francesc Illas (author), Jose R B Gomes (author)
Format: article
Language:eng
Published: 2010
Subjects:
Engenharia química
Chemical engineering
Online Access:https://hdl.handle.net/10216/93401
Country:Portugal
Oai:oai:repositorio-aberto.up.pt:10216/93401

Internet

https://hdl.handle.net/10216/93401

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