Surface interactions of Au(I) cyclo-trimer with Au(111) and Al(111) surfaces: A computational study

Surface Science

Volumn 606, Issue 13-14, 2012, Pages 1100-1107

  Chilukuri, Bhaskar ^a   Cundari, Thomas R ^a  

^a UNIVERSITY OF NORTH TEXAS   (United States)

Author keywords

Density functional theory calculations; Metal organic electronics; Metal semiconductor interfaces; Organometallic semiconductors; Self assembled monolayers

Indexed keywords

AU(1 1 1 ); AU(111) SURFACES; BAND-BROADENING; BOND DIPOLES; CHARGE REDISTRIBUTION; COMPUTATIONAL STUDIES; DENSITY-FUNCTIONAL THEORY CALCULATIONS; ELECTRONIC COUPLING; ELECTRONIC DEVICE; INTERMOLECULAR INTERACTIONS; METAL ELECTRODES; METAL SEMICONDUCTOR INTERFACE; METAL SURFACES; METAL-ORGANIC; OPTIMIZED STRUCTURES; PLANE WAVE DENSITY FUNCTIONAL THEORY; PYRAZOLATE; SURFACE INTERACTIONS; T-SYSTEMS; VACUUM LEVEL SHIFT;

ADSORPTION; ALUMINUM; ELECTRONIC PROPERTIES; GOLD; METALS; ORGANIC FIELD EFFECT TRANSISTORS; ORGANOMETALLICS; SELF ASSEMBLED MONOLAYERS;

OLIGOMERS;

EID: 84860769809     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2012.03.007     Document Type: Article

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