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• W2084479551 abstract "Abstract Energy gap, Mulliken population, and bond-overlap population analyses were carried out to investigate the intermolecular interaction modulation in pentacene clusters by neighboring artificially charged pentacene molecules, which model a charge-carrier injection into a crystal. Two common pentacene clusters, type-1 and type-2, obtained from the crystal structure of pentacene, were examined. A larger decrease in the band gap was observed for the type-2 orientation, whereas a positive intermolecular interaction was observed for the type-1 cluster. Both closing of the energy gap and the positive intermolecular interaction (bonding nature) were found only in the extreme n-type state." @default.
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• W2084479551 date "2014-03-01" @default.
• W2084479551 modified "2023-09-26" @default.
• W2084479551 title "Intermolecular interaction modulation on pentacene clusters by introduction of a neighboring charged pentacene" @default.
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• W2084479551 doi "https://doi.org/10.1016/j.tsf.2013.08.025" @default.
• W2084479551 hasPublicationYear "2014" @default.
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