Microscopic properties of ionic liquid/organic semiconductor interfaces revealed by molecular dynamics simulations

被引：14

作者：

Yokota, Yasuyuki ^{[1
]}

Miyamoto, Hiroo ^{[2
]}

Imanishi, Akihito ^{[2
]}

Takeya, Jun ^{[3
,4
]}

Inagaki, Kouji ^{[5
]}

Morikawa, Yoshitada ^{[5
,6
]}

Fukui, Ken-ichi ^{[2
]}

机构：

[1] RIKEN, Surface & Interface Sci Lab, Wako, Saitama 3510198, Japan

[2] Osaka Univ, Grad Sch Engn Sci, Dept Mat Engn Sci, Toyonaka, Osaka 5608531, Japan

[3] Univ Tokyo, Grad Sch Frontier Sci, Dept Adv Mat Sci, Kashiwa, Chiba 2778561, Japan

[4] Osaka Univ, ISIR, Ibaraki, Osaka 5670047, Japan

[5] Osaka Univ, Grad Sch Engn, Dept Precis Sci & Technol, Suita, Osaka 5650871, Japan

[6] Osaka Univ, Grad Sch Engn, Res Ctr Ultraprecis Sci & Technol, Suita, Osaka 5650871, Japan

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2018年 / 20卷 / 18期

基金：

日本学术振兴会;

关键词：

ELECTRIC-DOUBLE-LAYER; SINGLE-CRYSTAL INTERFACES; FORCE-FIELD; LIQUIDS; TRANSISTORS; CAPACITANCE; TRANSPORT; SURFACE; AMBER;

D O I：

10.1039/c8cp01043a

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Electric double-layer transistors based on ionic liquid/organic semiconductor interfaces have been extensively studied during the past decade because of their high carrier densities at low operation voltages. Microscopic structures and the dynamics of ionic liquids likely determine the device performance; however, knowledge of these is limited by a lack of appropriate experimental tools. In this study, we investigated ionic liquid/organic semiconductor interfaces using molecular dynamics to reveal the microscopic properties of ionic liquids. The organic semiconductors include pentacene, rubrene, fullerene, and 7,7,8,8-tetracyanoquinodimethane (TCNQ). While ionic liquids close to the substrate always form the specific layered structures, the surface properties of organic semiconductors drastically alter the ionic dynamics. Ionic liquids at the fullerene interface behave as a two-dimensional ionic crystal because of the energy gain derived from the favorable electrostatic interaction on the corrugated periodic substrate.

引用

页码：13075 / 13083

页数：9

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