José Luís Cagide Fagín


AuthID: R-000-8EV

Confirmed Publications: 58



31
TITLE: Density functional theory model study of size and structure effects on water dissociation by platinum nanoparticles  Full Text
AUTHORS: Jose L C Fajin ; Albert Bruix; Maria Natalia D S Cordeiro ; Jose R B Gomes ; Francesc Illas;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 137, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 55
IN MY: ORCID
32
TITLE: Ionic and radical adsorption on the Au(hkl) surfaces: A DFT study  Full Text
AUTHORS: Ana M Pessoa ; Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: SURFACE SCIENCE, VOLUME: 606, ISSUE: 1-2
INDEXED IN: Scopus WOS CrossRef: 28
IN MY: ORCID
33
TITLE: On the Need for Spin Polarization in Heterogeneously Catalyzed Reactions on Nonmagnetic Metallic Surfaces  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ; Francesc Illas;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 8, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 21
IN MY: ORCID
34
TITLE: Unraveling the mechanism of the NO reduction by CO on gold based catalysts  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2012, SOURCE: JOURNAL OF CATALYSIS, VOLUME: 289
INDEXED IN: Scopus WOS CrossRef: 33
IN MY: ORCID
35
TITLE: Water Dissociation on Bimetallic Surfaces: General Trends
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 116, ISSUE: 18
INDEXED IN: Scopus WOS CrossRef: 32
IN MY: ORCID
36
TITLE: Catalytic Reactions on Model Gold Surfaces: Effect of Surface Steps and of Surface Doping
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ; Gomes, JRB;
PUBLISHED: 2011, SOURCE: CATALYSTS, VOLUME: 1, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 7
IN MY: ORCID
37
TITLE: DFT study on the NO oxidation on a flat gold surface model  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2011, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 503, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 16
IN MY: ORCID
38
TITLE: On the theoretical understanding of the unexpected O-2 activation by nanoporous gold  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2011, SOURCE: CHEMICAL COMMUNICATIONS, VOLUME: 47, ISSUE: 29
INDEXED IN: Scopus WOS CrossRef: 66
IN MY: ORCID
39
TITLE: Cluster and periodic DFT calculations of adsorption of hydroxyl on the Au(h k l) surfaces  Full Text
AUTHORS: Ana M Pessoa ; Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 28
IN MY: ORCID
40
TITLE: Descriptors controlling the catalytic activity of metallic surfaces toward water splitting  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CATALYSIS, VOLUME: 276, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 84
IN MY: ORCID
Page 4 of 6. Total results: 58.

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