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Evidence for Charge‐Trapping Inducing Polymorphic Structural‐Phase Transition in Pentacene
Author(s) -
Ando Masahiko,
Kehoe Tom B.,
Yoneya Makoto,
Ishii Hiroyuki,
Kawasaki Masahiro,
Duffy Claudia M.,
Minakata Takashi,
Phillips Richard T.,
Sirringhaus Henning
Publication year - 2015
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.201403556
Subject(s) - pentacene , materials science , intermolecular force , chemical physics , trapping , raman spectroscopy , charge (physics) , molecule , molecular dynamics , organic semiconductor , phase transition , phase (matter) , spectroscopy , molecular physics , condensed matter physics , nanotechnology , computational chemistry , optoelectronics , optics , physics , chemistry , organic chemistry , ecology , layer (electronics) , quantum mechanics , biology , thin film transistor
Trapped‐charge‐induced transformation of pentacene polymorphs is observed by using in situ Raman spectroscopy and molecular dynamics simulations reveal that the charge should be localized in pentacene molecules at the interface with static intermolecular disorder along the long axis. Quantum chemical calculations of the intermolecular transfer integrals suggest the disorder to be large enough to induce Anderson‐type localization.