: Asymmetric liquid-crystal (LC) organic semiconductors, such as 2-decyl-7-(p-tolyl)-[1]benzothieno[3,2-b][1]benzothiophene (pTol-BTBT-C10), exhibit high mobilities exceeding 10 cm2 V-1 s-1. The LC phases play important roles in thermal stability and self-assembly ordering during film deposition and annealing. In this study, we show molecular dynamics simulations of pTol-BTBT-C10 and reveal a unique mechanism of the molecular flip-flop motion at the smectic E/smectic B phase transition.
Flip-flop dynamics in smectic liquid-crystal organic semiconductors revealed by molecular dynamics simulations / Suzuki, Tomoka; De Nicola, Antonio; Inoue, Satoru; Okada, Tomoharu; Hasegawa, Tatsuo; Milano, Giuseppe; Matsui, Hiroyuki. - In: CHEMICAL COMMUNICATIONS. - ISSN 1359-7345. - 60:16(2024), pp. 2192-2195. [10.1039/d3cc05222b]
Flip-flop dynamics in smectic liquid-crystal organic semiconductors revealed by molecular dynamics simulations
De Nicola, Antonio;Milano, Giuseppe
;
2024
Abstract
: Asymmetric liquid-crystal (LC) organic semiconductors, such as 2-decyl-7-(p-tolyl)-[1]benzothieno[3,2-b][1]benzothiophene (pTol-BTBT-C10), exhibit high mobilities exceeding 10 cm2 V-1 s-1. The LC phases play important roles in thermal stability and self-assembly ordering during film deposition and annealing. In this study, we show molecular dynamics simulations of pTol-BTBT-C10 and reveal a unique mechanism of the molecular flip-flop motion at the smectic E/smectic B phase transition.| File | Dimensione | Formato | |
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