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Volumn 107, Issue 5, 2003, Pages 1151-1156

DFT study of cysteine adsorption on Au(111)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; CHEMISORPTION; ELECTRON ENERGY LEVELS; ELECTRONIC PROPERTIES; FERMI LEVEL; GOLD; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; PHASE COMPOSITION; PROBABILITY DENSITY FUNCTION; SEMICONDUCTOR JUNCTIONS;

EID: 0037421829     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0272421     Document Type: Article
Times cited : (213)

References (36)
  • 33
    • 0013373232 scopus 로고    scopus 로고
    • note
    • S-Au, and Θ are the same for the two inequivalent tailgroup rotation geometries at each adsorption site.
  • 34
    • 0013425739 scopus 로고    scopus 로고
    • note
    • Although decreasing the slab thickness from four to three Au layers brings an error of 5 kcal/mol in the evaluation of absolute adsorption energies, the relative adsorption energies (between the thiolate and disulfide forms in our case) are more accurate by about an order of magnitude.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.