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Volumn 109, Issue 19, 2005, Pages 9596-9603

First-principles study of CO adsorption and vibration on Au surfaces

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; ADSORPTION; CATALYSIS; CATALYSTS; FREE ENERGY; GOLD; INFRARED RADIATION; LOW ENERGY ELECTRON DIFFRACTION; MOLECULAR VIBRATIONS; PHASE TRANSITIONS; SCANNING TUNNELING MICROSCOPY; SURFACE REACTIONS; ULTRAHIGH VACUUM;

EID: 19844376970     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050473y     Document Type: Article
Times cited : (25)

References (58)
  • 58
    • 19844365218 scopus 로고    scopus 로고
    • note
    • For the Au(110)-(1 × 1) surface, the following k-point densities have been chosen respectively for the (1 × 1), (2 × 1), (1 × 2), c(2 × 2), (2 × 2), (3 × 2), and (4 × 2) structures: 11 × 13 × 1, 7 × 13 × 1, 11 × 11 × 1, 9 × 9 × 1, 5 × 9 × 1, 5 × 5 × 1, and 5 × 3 × 1. For the Au(110)-(1 × 2) surface, the k-point meshes are respectively for the (1 ×1), (2 × 1), (3 × 1), and (4 × 1) structures the following: 7 × 13 × 1, 5 × 9 × 1, 5 × 5 × 1, and 5 × 3 × 1. For the Au(230) surface, a tight convergence is reached with the following k-point densities for the (1 × 1), (2 × 1), and (3×1) structures, respectively: 8×5×1,5×5×1, and 4×4×1.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.