Adsorption of chlorine on Cu(111): A density-functional theory study

Journal of Physical Chemistry C

Volumn 113, Issue 32, 2009, Pages 14363-14376

  Peljhan, Sebastijan ^a   Kokalj, Anton ^a  

^a JO EF STEFAN INSTITUTE   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; ADSORBATE-SUBSTRATE INTERACTIONS; ADSORPTION FREE ENERGY; ADSORPTION MODES; ANTI-BONDING STATE; CHEMISORPTION ENERGY; CL ADSORPTION; COVALENT NATURE; CU(1 1 1); DENSITY FUNCTIONAL THEORY CALCULATIONS; DISSOCIATIVE ADSORPTION; LIMITING CASE; NET CHARGES; SURFACE SITES;

ADATOMS; ADSORPTION; CHEMICAL POTENTIAL; CHEMICALS; CHEMISORPTION; CHLORINE; CHLORINE COMPOUNDS; COPPER COMPOUNDS; ELECTRONIC STRUCTURE; PHOTODISSOCIATION; SURFACE STRUCTURE; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 68749095127     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp902273k     Document Type: Article

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