TY - JOUR
T1 - Surface Structure of Organic Semiconductor [n]Phenacene Single Crystals
AU - Wakabayashi, Yusuke
AU - Nakamura, Masanari
AU - Sasaki, Kaori
AU - Maeda, Takahiro
AU - Kishi, Yuutaro
AU - Ishii, Hiroyuki
AU - Kobayashi, Nobuhiko
AU - Yanagisawa, Susumu
AU - Shimo, Yuma
AU - Kubozono, Yoshihiro
N1 - Publisher Copyright:
Copyright © 2018 American Chemical Society
PY - 2018/10/31
Y1 - 2018/10/31
N2 - 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.
AB - 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.
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U2 - 10.1021/jacs.8b08811
DO - 10.1021/jacs.8b08811
M3 - Article
C2 - 30336019
AN - SCOPUS:85055247604
SN - 0002-7863
VL - 140
SP - 14046
EP - 14049
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 43
ER -