Atomistic simulation of alkanethiol self-assembled monolayers on different metal surfaces via a quantum, first-principles parametrization of the sulfur-metal interaction

Journal of Physical Chemistry C

Volumn 111, Issue 17, 2007, Pages 6380-6391

  Alexiadis, Orestis ^a,b,c   Harmandaris, Vagelis A ^a   Mavrantzas, Vlasis G ^b,c   Site, Luigi Delle ^a  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^b UNIVERSITY OF PATRAS   (Greece)

^c INSTITUTE OF CHEMICAL ENGINEERING SCIENCES   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; MOLECULAR ORIENTATION; SUBSTRATES; SULFUR COMPOUNDS; SURFACE CHEMISTRY;

ALKANETHIOL; ATOMISTIC SIMULATIONS; METAL SURFACES; SULFUR-METAL INTERACTIONS;

SELF ASSEMBLED MONOLAYERS;

EID: 34249102684     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp067347u     Document Type: Article

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