Unique geometric and electronic structure of CO adsorbed on Ge(100): A DFT study

Surface Science

Volumn 606, Issue 9-10, 2012, Pages 784-790

  He, Jing Hui ^a   Zhang, Yong Ping ^a   Mao, Wei ^a   Xu, Guo Qin ^a   Tok, Eng Soon ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Adsorption; Carbon monoxide; Crystal orbital Hamilton population; Density functional theory; Ge(100)

Indexed keywords

ADSORBED CO; ADSORPTION ENERGIES; ADSORPTION PROCESS; ASYMMETRIC DIMERS; CARBON MONOXIDE (CO); CO ADSORPTION; DENSITY FUNCTIONAL THEORIES (DFT); DFT STUDY; DIMER ATOMS; GE(100); GE(100) SURFACE; HAMILTONS; REPULSIVE ENERGY; SLAB MODEL; VIBRATION FREQUENCY;

ADSORPTION; CARBON MONOXIDE; DIMERS; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS;

GERMANIUM;

EID: 84862782802     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2012.01.007     Document Type: Article

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