Theoretical Study on the Hole-Transport Property of Fullerene Hydrides C_<60>H_2 and C_<60>H_4

Abstract

Hole-transport property of C_H_2 [1] and C_H_4 [2] is discussed from the viewpoint of reorganization energy λ and hole-transfer rate constant k_, comparing with that of C_.All synthesized isomers [3] of C_H_2 and C_H_4 have better hole-transport property than C_. It is also revealed that the hole-transport property is closely related to the delocalization of HOMO.Nagasaki Symposium on Nano-Dynamics 2008 (NSND2008) 平成20年1月29日(火)於長崎大学 Poster Presentatio

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