First-principles investigation of the fundamental corrosion properties of a model Cu38 nanoparticle and the (111), (113) surfaces

Journal of the Electrochemical Society

Volumn 155, Issue 8, 2008, Pages

  Taylor, Christopher D ^a,c   Neurock, Matthew ^a   Scully, John R ^a,b  

^a University of Virginia   (United States)

^b ELECTROCHEMICAL SOCIETY

^c LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION REACTIONS; ATOMIC PHYSICS; ATOMS; CONSERVATION; COPPER; CORROSION; CORRUGATED METAL; DENSITY FUNCTIONAL THEORY; HYDROGEN; LANDFORMS; METALS; NANOPARTICLES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; OXYGEN; SOIL CONSERVATION; SURFACE REACTIONS; THERMODYNAMIC PROPERTIES;

(1 1 0) SURFACE; (O-SEC.-BUTYLDITHIOCARBONATIO-S ,S') COPPER; (PL) PROPERTIES; COHESIVE ENERGIES; CORROSION PROPERTIES; DENSITY-FUNCTIONAL THEORY (DFT); ELECTROCHEMICAL SOCIETY (ECS); ELECTRON TRANSFER (ET) REACTIONS; EQUILIBRIUM REACTIONS; FIRST-PRINCIPLES; IN ORDER; LOW INDEX SURFACES; METAL ATOMS; METAL NANO-PARTICLES; NANO PARTICLES; NONIDEAL; PERFECT LATTICE; REACTIVITY (CHEMICAL);

SURFACE PROPERTIES;

EID: 46649091776     PISSN: 00134651     EISSN: None     Source Type: Journal    
DOI: 10.1149/1.2926598     Document Type: Article

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