Self-Assembling of Zinc Phthalocyanines on ZnO (1010) Surface through Multiple Time Scales

Self-Assembling of Zinc Phthalocyanines on ZnO (1010) Surface through Multiple Time Scales

We adopt a hierarchic combination of theoretical methods to study the assembling of zinc phthalocyanines (ZnPcs) on a ZnO (101̅0) surface through multiple time scales. Atomistic simulations, such as model potential molecular dynamics and metadynamics, are used to study the energetics and short time...

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Bibliographic Details
Main Authors: Melis, C., Raiteri, Paolo, Colombo, L., Mattoni, A.
Format: Journal Article
Published: American Chemical Society 2011
Subjects:
hybrid interface
self assembling
phthalocyanines
free energy
multiscale modeling
Online Access:http://hdl.handle.net/20.500.11937/18169

Internet

http://hdl.handle.net/20.500.11937/18169

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