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

Masashi Mamada, Hiroshi Katagiri, Tomo Sakanoue, Shizuo Tokito

Research output: Contribution to journalArticle

2 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 languageEnglish
Pages (from-to)1421-1424
Number of pages4
JournalChemistry Letters
Volume45
Issue number12
DOIs
Publication statusPublished - Jan 1 2016

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Fullerenes
Transport properties
Charge transfer
Crystal structure
Derivatives
Electron mobility
Carrier mobility
X ray analysis
Charge carriers
Density functional theory
Single crystals
Crystals
Molecules
2-xylene

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

Crystal structure and theoretical investigation of charge-transport properties 1 of fullerene derivatives. / Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo.

In: Chemistry Letters, Vol. 45, No. 12, 01.01.2016, p. 1421-1424.

Research output: Contribution to journalArticle

Mamada, Masashi ; Katagiri, Hiroshi ; Sakanoue, Tomo ; Tokito, Shizuo. / Crystal structure and theoretical investigation of charge-transport properties 1 of fullerene derivatives. In: Chemistry Letters. 2016 ; Vol. 45, No. 12. pp. 1421-1424.
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