Identification of descriptors for the CO interaction with metal Nanoparticles

Nano Letters

Volumn 10, Issue 3, 2010, Pages 1041-1045

  Mpourmpakis, Giannis ^a,b   Andriotis, Antonis N ^b   Vlachos, Dionisios G ^a  

^a University of Delaware   (United States)

^b INSTITUTE OF ELECTRONIC STRUCTURE AND LASER   (Greece)

Author keywords

Adsorption; Au clusters; Co oxidation; Density functional theory

Indexed keywords

AU CLUSTERS; AU NANOPARTICLE; BINDING STRENGTH; CO OXIDATION; COORDINATION NUMBER; CURVATURE ANGLE; DESCRIPTORS; FIRST PRINCIPLE CALCULATIONS; METAL INTERACTIONS; METAL NANOPARTICLES; NANOCATALYSTS; PERFORMANCE OPTIMIZATIONS;

ADSORPTION; COBALT; COBALT COMPOUNDS; ELECTRONIC PROPERTIES; GOLD; NANOPARTICLES; OXIDATION; STRUCTURAL METALS;

DENSITY FUNCTIONAL THEORY;

CARBON MONOXIDE; METAL NANOPARTICLE;

ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION;

BINDING SITES; CARBON MONOXIDE; COMPUTER SIMULATION; METAL NANOPARTICLES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION;

EID: 77949477046     PISSN: 15306984     EISSN: 15306992     Source Type: Journal    
DOI: 10.1021/nl904299c     Document Type: Article

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