Surface Structure of Organic Semiconductor [n]Phenacene Single Crystals

Yusuke Wakabayashi, Masanari Nakamura, Kaori Sasaki, Takahiro Maeda, Yuutaro Kishi, Hiroyuki Ishii, Nobuhiko Kobayashi, Susumu Yanagisawa, Yuma Shimo, Yoshihiro Kubozono

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


Surface structure relaxation of organic semiconductors affects the properties of organic devices, although such relaxation has not been well explored. Only two examples have been experimentally reported; tetracene shows a large surface relaxation, while rubrene exhibits no relaxation. Therefore, a systematic investigation of the surface relaxation is conducted on [n]phenacenes (n= 5, 7, and 9). Electron density analyses are performed based on the synchrotron surface X-ray scattering with the aid of first-principles calculations. The results show little surface relaxation in [n]phenacenes.

Original languageEnglish
Pages (from-to)14046-14049
Number of pages4
JournalJournal of the American Chemical Society
Issue number43
Publication statusPublished - Oct 31 2018

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry


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