Rational design and crystal structure prediction of ring-fused double-PDI compounds as n-channel organic semiconductors: a DFT study
Author:
Affiliation:
1. High Performance Computing lab
2. Department of Physics
3. Indian Institute of Technology (Indian School of Mines)
4. Dhanbad
5. India
Abstract
In this study, we present an effective molecular design strategy to develop the n-type charge transport characteristics in organic semiconductors, using ring-fused double perylene diimides (DPDIs) as the model compounds.
Funder
Indian Institute of Technology (Indian School of Mines), Dhanbad
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP00008J
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