有机半导体 [n]菲单晶的表面结构

Surface Structure of Organic Semiconductor [ n]Phenacene Single Crystals.

作者信息

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

机构信息

Division of Materials Physics, Graduate School of Engineering Science , Osaka University , Toyonaka 560-8531 , Japan.

Department of Applied Physics, Faculty of Pure and Applied Science , University of Tsukuba , Ibaraki 305-8573 , Japan.

出版信息

J Am Chem Soc. 2018 Oct 31;140(43):14046-14049. doi: 10.1021/jacs.8b08811. Epub 2018 Oct 17.

DOI:10.1021/jacs.8b08811

PMID:30336019

Abstract

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.

摘要

有机半导体的表面结构弛豫会影响有机器件的性能，尽管这种弛豫尚未得到充分研究。目前仅通过实验报道了两个例子；并四苯表现出较大的表面弛豫，而红荧烯则没有弛豫现象。因此，我们对[ n]并苯（n = 5、7和9）进行了表面弛豫的系统研究。借助第一性原理计算，基于同步加速器表面X射线散射进行了电子密度分析。结果表明，[ n]并苯中的表面弛豫很小。