Issue 18, 2018

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

Abstract

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.

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

Supplementary files

Article information

Article type
Paper
Submitted
14 Feb 2018
Accepted
24 Apr 2018
First published
25 Apr 2018

Phys. Chem. Chem. Phys., 2018,20, 13075-13083

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

Y. Yokota, H. Miyamoto, A. Imanishi, J. Takeya, K. Inagaki, Y. Morikawa and K. Fukui, Phys. Chem. Chem. Phys., 2018, 20, 13075 DOI: 10.1039/C8CP01043A

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