Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles

被引：10
作者：
Calvo-Castro, Jesus [3 ]
Maczka, Sebastian [1 ]
Thomson, Connor [1 ]
Morris, Graeme [1 ]
Kennedy, Alan R. [2 ]
McHugh, Callum J. [1 ]
机构：
[1] Univ West Scotland, Sch Sci & Sport, Paisley PA1 2BE, Renfrew, Scotland
[2] Univ Strathclyde, Dept Pure & Appl Chem, Glasgow G1 1XL, Lanark, Scotland
[3] Univ Hertfordshire, Sch Life & Med Sci, Hatfield AL10 9AB, Herts, England
来源：
CRYSTENGCOMM | 2016年 / 18卷 / 48期
基金：
英国工程与自然科学研究理事会;
关键词：
FIELD-EFFECT TRANSISTORS; SENSITIZED SOLAR-CELLS; THIN-FILM TRANSISTORS; PI-PI STACKING; INTERMOLECULAR INTERACTIONS; ORGANIC SEMICONDUCTORS; COPOLYMER; PERFORMANCE; ENERGETICS; ELECTRON;
D O I：
10.1039/c6ce02261h
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The influence of systematic variation of aryl and N-substitution on predicted charge transport behaviour in a series of crystalline diketopyrrolopyrroles is evaluated. A correct combination of substituents is revealed to maximise those properties which dictate device performance in organic single crystals based upon this structural motif. For electron transport, furan and N-alkyl substitution emerge as optimal molecular design strategies, whilst phenyl structures bearing N-benzyl substituents are shown to offer the most significant promise as highly sought after crystalline hole transport materials.
引用
收藏
页码：9382 / 9390
页数：9
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