High electron mobility due to extra &#960;-conjugation in the end-capped units of non-fullerene acceptor molecules: a DFT/TD-DFT-based prediction.

Iqbal, Malik Muhammad Asif; Mehboob, Muhammad Yasir; Hassan, Talha; Khan, Muhammad Shahzeb; Arshad, Muhammad

High electron mobility due to extra π-conjugation in the end-capped units of non-fullerene acceptor molecules: a DFT/TD-DFT-based prediction.

Iqbal, Malik Muhammad Asif; Mehboob, Muhammad Yasir; Hassan, Talha; Khan, Muhammad Shahzeb; Arshad, Muhammad.

Afiliação

Iqbal MMA; Department of Chemistry, University of Okara, Okara, 56300, Pakistan.
Mehboob MY; Department of Chemistry, University of Okara, Okara, 56300, Pakistan. yasirbhatti587@gmail.com.
Hassan T; Department of Chemistry, University of Okara, Okara, 56300, Pakistan.
Khan MS; Department of Chemistry and Technology of Functional Materials, Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11/12, 80-233, Gdansk, Poland.
Arshad M; Department of Chemistry, National Sun Yat-Sen University, 70 Lien-Hai Road, Kaohsiung, 80424, Taiwan.

J Mol Model ; 28(9): 278, 2022 Aug 26.

Article em En | MEDLINE | ID: mdl-36028595

Assuntos

Fulerenos; Energia Solar; Teoria da Densidade Funcional; Elétrons; Estrutura Molecular

Palavras-chave

Active layer; Electron mobility; OSCs; PCE; Voc

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Energia Solar / Fulerenos Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo

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XML

PubMed Links

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Energia Solar / Fulerenos Idioma: En Ano de publicação: 2022 Tipo de documento: Article