Binding of polyvinylpyrrolidone to Ag surfaces: Insight into a structure-directing agent from dispersion-corrected density functional theory

Journal of Physical Chemistry C

Volumn 117, Issue 2, 2013, Pages 1163-1171

  Saidi, Wissam A ^a   Feng, Haijun ^b,c   Fichthorn, Kristen A ^b  

^a University of Pittsburgh   (United States)

^b The Pennsylvania State University   (United States)

^c SOUTH CHINA UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

2-PYRROLIDONE; AG NANOWIRES; AG(100); CHEMICAL BONDINGS; D-BAND CENTER MODEL; DENSITY FUNCTIONAL THEORIES (DFT); DFT CALCULATION; MANY-BODY; METAL DISPERSIONS; PARAMETRIZATIONS; POLYVINYL PYRROLIDONE; SCREENING EFFECT; SEMI-EMPIRICAL METHODS; SHAPE-SELECTIVE SYNTHESIS; STRUCTURE DIRECTING AGENTS; VAN DER WAALS INTERACTION;

BINDING ENERGY; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DISPERSIONS; EXPERIMENTS; IONIC LIQUIDS; VAN DER WAALS FORCES;

SILVER;

EID: 84872709670     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp309867n     Document Type: Article

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