Supramolecular ordering of PTCDA molecules: The key role of dispersion forces in an unusual transition from physisorbed into chemisorbed state

ACS Nano

Volumn 6, Issue 10, 2012, Pages 8536-8545

  Godlewski, Szymon ^a   Tekiel, Antoni ^a,b   Piskorz, Witold ^a   Zasada, Filip ^a   Prauzner Bechcicki, Jakub S ^a   Sojka, Zbigniew ^a   Szymonski, Marek ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

^b MCGILL UNIVERSITY   (Canada)

Author keywords

adsorption; DFT D; DOS; dye sensitization; photovoltaics; PTCDA; semi empirical dispersion; STM; supramolecular ordering; surface functionalization; TiO 2; titanium dioxide; van der Waals

Indexed keywords

DFT-D; DYE SENSITIZATION; PHOTOVOLTAICS; PTCDA; SEMI-EMPIRICAL; STM; SUPRAMOLECULAR ORDERING; SURFACE FUNCTIONALIZATION; TIO; VAN DER WAALS;

DOS; TITANIUM DIOXIDE;

ADSORPTION;

3,4,9,10 PERYLENETETRACARBOXYLIC DIANHYDRIDE; 3,4,9,10-PERYLENETETRACARBOXYLIC DIANHYDRIDE; ACID ANHYDRIDE; DRUG DERIVATIVE; NANOMATERIAL; PERYLENE; TITANIUM; TITANIUM DIOXIDE;

ABSORPTION; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; CRYSTALLIZATION; MACROMOLECULE; MATERIALS TESTING; MECHANICAL STRESS; METHODOLOGY; PARTICLE SIZE; ULTRASTRUCTURE;

ABSORPTION; ANHYDRIDES; COMPUTER SIMULATION; CRYSTALLIZATION; MACROMOLECULAR SUBSTANCES; MATERIALS TESTING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NANOSTRUCTURES; PARTICLE SIZE; PERYLENE; STRESS, MECHANICAL; TITANIUM;

EID: 84867834191     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn303546m     Document Type: Article

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