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

Article ID	Journal	Published Year	Pages	File Type
5423185	Surface Science	2012	7 Pages	PDF

Abstract

âº DFT calculation found CO is exclusively adsorbed on lower Ge dimer atom on Ge(100). âº The bonding between Ge and CO is mainly attributable to the Ge 4pz orbital overlapping with C 2s. âº The adsorption and diffusion processes were studied. âº The adsorbate interaction is negligible.

Keywords

Adsorption Ge(100)carbon monoxide Density functional theory

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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

Authors

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