Adsorption structure of benzenethiol on Au(1 1 1): First-principles study

Applied Surface Science

Volumn 237, Issue 1-4, 2004, Pages 434-439

  Nara, Jun ^a   Higai, Shin'ichi ^a   Morikawa, Yoshitada ^b,c   Ohno, Takahisa ^a,d  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^d INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

Author keywords

Benzenethiol; DFT calculation; Self assembled monolayer; Van der Waals interaction

Indexed keywords

ADSORPTION; ALCOHOLS; GOLD; MOLECULAR STRUCTURE; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; SELF ASSEMBLY; VAN DER WAALS FORCES;

ADSORPTION STRUCTURE; BENZENETHIOL; STERIC HINDRANCE;

SURFACE TREATMENT;

EID: 4644251019     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2004.06.030     Document Type: Conference Paper

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