First-principles investigation of CO adsorption on Pt/Ge(0 0 1)-(4 × 2)

Computational Materials Science

Volumn 49, Issue 4, 2010, Pages 895-898

  Krivosheeva, A V ^a   Sanna, S ^b   Schmidt, W G ^b  

^a BELARUSIAN STATE UNIVERSITY OF INFORMATICS AND RADIOELECTRONICS   (Belarus)

^b UNIVERSITY OF PADERBORN   (Germany)

Author keywords

CO; Ge slab; PES; Pt nanowires; Pt@Ge; Theory

Indexed keywords

ADSORBED CO; BAND GAPS; CO; CO ADSORPTION; CO MOLECULE; FIRST-PRINCIPLES INVESTIGATIONS; GE(0 0 1); TOTAL-ENERGY CALCULATIONS;

ADSORPTION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GERMANIUM; NANOWIRES; QUANTUM CHEMISTRY; SURFACE STRUCTURE;

PLATINUM;

EID: 77955518753     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.06.043     Document Type: Article

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