Self-assembling of zinc phthalocyanines on ZnO (101̄0) surface through multiple time scales

ACS Nano

Volumn 5, Issue 12, 2011, Pages 9639-9647

  Melis, Claudio ^a,b   Raiteri, Paolo ^c   Colombo, Luciano ^a,b   Mattoni, Alessandro ^b  

^a UNIVERSITY OF CAGLIARI   (Italy)

^b IOM CNR LABORATORIO TASC   (Italy)

^c CURTIN UNIVERSITY   (Australia)

Author keywords

free energy; hybrid interface; multiscale modeling; phthalocyanines; self assembling

Indexed keywords

ATOMISTIC SIMULATIONS; CLASSICAL MOLECULAR DYNAMICS; CLUSTERING PHENOMENA; COARSE GRAINED MODELS; CRYSTALLOGRAPHIC DIRECTIONS; HYBRID INTERFACE; LARGE CLUSTERS; METADYNAMICS; METROPOLIS MONTE CARLO ALGORITHMS; MODEL POTENTIAL; MULTIPLE TIME SCALE; MULTISCALE MODELING; PHTHALOCYANINES; ROOM TEMPERATURE; SELF ASSEMBLING; STABLE AGGREGATES; SURFACE COVERAGES; TIME EVOLUTIONS; TIME-SCALES; ZINC PHTHALOCYANINES; ZNO;

COMPUTER SIMULATION; DYNAMICS; FREE ENERGY; NITROGEN COMPOUNDS; TIME MEASUREMENT; ZINC; ZINC OXIDE;

MOLECULAR DYNAMICS;

INDOLE DERIVATIVE; NANOMATERIAL; ORGANOMETALLIC COMPOUND; ZINC OXIDE; ZN(II) PHTHALOCYANINE; ZN(II)-PHTHALOCYANINE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; MACROMOLECULE; PARTICLE SIZE; SURFACE PROPERTY; ULTRASTRUCTURE;

COMPUTER SIMULATION; INDOLES; MACROMOLECULAR SUBSTANCES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NANOSTRUCTURES; ORGANOMETALLIC COMPOUNDS; PARTICLE SIZE; SURFACE PROPERTIES; ZINC OXIDE;

EID: 84555169240     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn203105w     Document Type: Article

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