Optical and Electronic Properties of Organic NIR-II Fluorophores by Time-Dependent Density Functional Theory and Many-Body Perturbation Theory: <i>GW</i>-BSE Approaches.

Pham, Nguyet N T; Han, Seong Hun; Park, Jong S; Lee, Seung Geol

Optical and Electronic Properties of Organic NIR-II Fluorophores by Time-Dependent Density Functional Theory and Many-Body Perturbation Theory: GW-BSE Approaches.

Pham, Nguyet N T; Han, Seong Hun; Park, Jong S; Lee, Seung Geol.

Afiliação

Pham NNT; School of Chemical Engineering, Pusan National University, Busan 46241, Korea.
Han SH; School of Chemical Engineering, Pusan National University, Busan 46241, Korea.
Park JS; School of Chemical Engineering, Pusan National University, Busan 46241, Korea.
Lee SG; Department of Organic Material Science and Engineering, Pusan National University, Busan 46241, Korea.

Nanomaterials (Basel) ; 11(9)2021 Sep 03.

Article em En | MEDLINE | ID: mdl-34578610

Palavras-chave

GW-BSE; NIR; electronic property; many-body perturbation theory (MBPT); optical property; organic fluorescent dyes; time-dependent density functional theory (TDDFT)

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Nanomaterials (Basel) Ano de publicação: 2021 Tipo de documento: Article