Adsorption of carbon monoxide on SixGe4-x(x = 0-4) nano-clusters: A hybrid meta density functional study

Molecular Physics

Volumn 108, Issue 10, 2010, Pages 1317-1327

  Nahali, M ^a   Gobal, F ^a  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Adsorption; Cluster; HMDFT; MPW1B95; Silicon

Indexed keywords

ADSORBED CO; ADSORPTION ENERGIES; BRIDGE STRUCTURES; BRIDGED STRUCTURES; CARBON MONOXIDE ADSORPTION; CLUSTER; CO ADSORPTION; CORE POTENTIAL; DENSITY-FUNCTIONAL METHODS; DENSITY-FUNCTIONAL STUDY; DISSOCIATION ENERGIES; EXPERIMENTAL VALUES; FLAT SURFACES; GE ATOM; LOCAL MINIMUMS; OPTIMIZED STRUCTURES; SI ATOMS; SILICON ATOMS; SPIN DENSITIES; SPIN MULTIPLICITY; STABLE STRUCTURES; THEORETICAL STUDY; VALENCE BASIS SETS; VIBRATIONAL FREQUENCIES; VIBRATIONAL FREQUENCY ANALYSIS;

ADSORPTION; ATOMS; CARBON MONOXIDE; GERMANIUM; NANOCLUSTERS; SPIN DYNAMICS;

CRYSTAL ATOMIC STRUCTURE;

EID: 77953515446     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268971003685756     Document Type: Article

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