Crystal structure and theoretical investigation of charge-transport properties 1 of fullerene derivatives

Masashi Mamada; Hiroshi Katagiri; Tomo Sakanoue; Shizuo Tokito

doi:10.1246/cl.160802

Crystal structure and theoretical investigation of charge-transport properties 1 of fullerene derivatives

Masashi Mamada, Hiroshi Katagiri, Tomo Sakanoue, Shizuo Tokito

Center for Organic Photonics and Electronics Research(OPERA)

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

Herein, the structure of an o-xylene C₆₀ monoadduct (OXCMA) having high electron mobility in solution-processed devices was studied by single-crystal X-ray analysis. The crystal of OXCMA showed a well-aligned three-dimensional network of the C₆₀ moiety without inclusion of solvent molecules. Density functional theory (DFT) methods and hopping modeling were employed to calculate the charge carrier mobility of OXCMA with good agreement with the experimental mobility.

Original language	English
Pages (from-to)	1421-1424
Number of pages	4
Journal	Chemistry Letters
Volume	45
Issue number	12
DOIs	https://doi.org/10.1246/cl.160802
Publication status	Published - 2016

All Science Journal Classification (ASJC) codes

General Chemistry

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10.1246/cl.160802

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title = "Crystal structure and theoretical investigation of charge-transport properties 1 of fullerene derivatives",

abstract = "Herein, the structure of an o-xylene C60 monoadduct (OXCMA) having high electron mobility in solution-processed devices was studied by single-crystal X-ray analysis. The crystal of OXCMA showed a well-aligned three-dimensional network of the C60 moiety without inclusion of solvent molecules. Density functional theory (DFT) methods and hopping modeling were employed to calculate the charge carrier mobility of OXCMA with good agreement with the experimental mobility.",

author = "Masashi Mamada and Hiroshi Katagiri and Tomo Sakanoue and Shizuo Tokito",

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AU - Mamada, Masashi

AU - Katagiri, Hiroshi

AU - Sakanoue, Tomo

AU - Tokito, Shizuo

PY - 2016

Y1 - 2016

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AB - Herein, the structure of an o-xylene C60 monoadduct (OXCMA) having high electron mobility in solution-processed devices was studied by single-crystal X-ray analysis. The crystal of OXCMA showed a well-aligned three-dimensional network of the C60 moiety without inclusion of solvent molecules. Density functional theory (DFT) methods and hopping modeling were employed to calculate the charge carrier mobility of OXCMA with good agreement with the experimental mobility.

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Crystal structure and theoretical investigation of charge-transport properties 1 of fullerene derivatives

Abstract

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