“Manipulation” of Crystal Structure by Methylthiolation Enabling Ultrahigh Mobility in a Pyrene-Based Molecular Semiconductor

Kazuo Takimiya, Kirill Bulgarevich, Mamatimin Abbas, Shingo Horiuchi, Takuya Ogaki, Kohsuke Kawabata, Abduleziz Ablat

Research output: Contribution to journalArticlepeer-review

16 Citations (Scopus)


Control and prediction of crystal structures of molecular semiconductors are considered challenging, yet they are crucial for rational design of superior molecular semiconductors. It is here reported that through methylthiolation, one can rationally control the crystal structure of pyrene derivatives as molecular semiconductors; 1,6-bis(methylthio)pyrene keeps a similar sandwich herringbone structure to that of parent pyrene, whereas 1,3,6,8-tetrakis(methylthio)pyrene (MT-pyrene) takes a new type of brickwork structure. Such changes in these crystal structures are explained by the alteration of intermolecular interactions that are efficiently controlled by methylthiolation. Single crystals of MT-pyrene are evaluated as the active semiconducting material in single-crystal field-effect transistors (SC-FETs), which show extremely high mobility (32 cm2 V−1 s−1 on average) operating at the drain and gate voltages of −5 V. Moreover, the band-like transport and very low trap density are experimentally confirmed for the MT-pyrene SC-FETs, testifying that the MT-pyrene is among the best molecular semiconductors for the SC-FET devices.

Original languageEnglish
Article number2102914
JournalAdvanced Materials
Issue number32
Publication statusPublished - 2021 Aug 12


  • band-like transport
  • crystal structure
  • organic semiconductor
  • single-crystal field-effect transistor
  • ultrahigh mobility

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering


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