Crystal-structure simulation of molecular semiconductors: brickwork-related crystal structures of methylthiolated <i>peri</i>-condensed polycyclic aromatic hydrocarbons-Reference-Cited by-同舟云学术

Crystal-structure simulation of molecular semiconductors: brickwork-related crystal structures of methylthiolated peri-condensed polycyclic aromatic hydrocarbons

Published:2023 Issue:12 Volume:10 Page:5492-5499
ISSN:2051-6347
Container-title:Materials Horizons
language:en
Short-container-title:Mater. Horiz.

Author:

Bulgarevich Kirill¹^ORCID,Takimiya Kazuo¹²³^ORCID

Affiliation:

1. RIKEN Center for Emergent Matter Science (CEMS), 2-1 Hirosawa, Wako, Saitama 351-0198, Japan

2. Department of Chemistry, Graduate School of Science, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8578, Japan

3. Advanced Institute for Materials Research (AIMR), Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577, Japan

Abstract

We demonstrate the simulation of brickwork-related polymorphs with conditional branching for methylthiolated peri-condensed polycyclic aromatic hydrocarbons, which allows us to discuss the likelihood of the appearance of each polymorph.

Funder

Japan Society for the Promotion of Science

Mitsubishi Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Electrical and Electronic Engineering,Process Chemistry and Technology,Mechanics of Materials,General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2023/MH/D3MH01055D

Reference39 articles.

1. Charge Transport in Organic Semiconductors

2. What Currently Limits Charge Carrier Mobility in Crystals of Molecular Semiconductors?

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