Microscopic characterization of the interface between aromatic isocyanides and Au(111): A first-principles investigation

Journal of Physical Chemistry C

Volumn 112, Issue 16, 2008, Pages 6413-6421

  Li, Yan ^a   Lu, Deyu ^a   Swanson, Sally A ^b   Scott, J Campbell ^b   Galli, Giulia ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b IBM ALMADEN RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMERICAN CHEMICAL SOCIETY (ACS); AROMATIC RINGS; ATOP SITES; AU (1 1 1); BENZENETHIOLS; BLUE SHIFTING; DENSITY-FUNCTIONAL THEORY (DFT); ELECTRONIC STRUCTURE CALCULATIONS; ENERGY DIFFERENCES; ENERGY LEVEL ALIGNMENT; EXPERIMENTAL VALIDATIONS; FIRST-PRINCIPLES; GAS PHASE; ISOCYANIDE; ISOCYANIDES; LOW TEMPERATURE (LTR); MANY BODY PERTURBATION THEORY (MBPT); METAL WORK FUNCTIONS; METALLIC LEADS; MICROSCOPIC CHARACTERIZATION; MOLECULAR ASSEMBLIES; MOLECULAR ELECTRONIC DEVICES; QUALITATIVE ASSESSMENTS; ROOM-TEMPERATURE (RT); SELF ASSEMBLED MONOLAYERS (SAMS); SELF-ENERGY CORRECTIONS; SPECTROSCOPY MEASUREMENTS; STRETCHING FREQUENCIES; SURFACE POLARIZATIONS;

ADSORPTION; AROMATIC COMPOUNDS; BINDING ENERGY; CYANIDES; DENSITY FUNCTIONAL THEORY; DISCRETE FOURIER TRANSFORMS; ELECTRON ENERGY LEVELS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; METALS; MISSILE BASES; MOLECULAR ELECTRONICS; PERTURBATION TECHNIQUES; PHASE INTERFACES; PROBABILITY DENSITY FUNCTION; REAL TIME SYSTEMS; SELF ASSEMBLED MONOLAYERS; TRANSPORT PROPERTIES;

SURFACE DEFECTS;

EID: 46849089584     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp7111044     Document Type: Article

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