Computational insights into intriguing vibration-induced pulsing diradical character in perfluoropentacene and the perfluorination effect
作者： Fengying Zhang , Yiwei Feng , Xinyu Song , Yuxiang Bu
DOI: 10.1039/C6CP01706A
关键词: Molecular orbital 、 Perfluoropentacene 、 Density functional theory 、 Band gap 、 Molecular vibration 、 Diradical 、 Chemistry 、 Computational chemistry 、 Pentacene 、 Chemical physics 、 Organic semiconductor
摘要: As an n-type organic semiconductor compound, perfluoropentacene has more widespread applications in organic electronics because of its higher electron mobility compared with its …
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