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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

Organic-molecule fluorophores with emission wavelengths in the second near-infrared window (NIR-II, 1000–1700 nm) have attracted substantial attention in the life sciences and in biomedical applications because of their excellent resolution and sensitivity. However, adequate theoretical levels to pr...

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Principais autores: Nguyet N. T. Pham, Seong Hun Han, Jong S. Park, Seung Geol Lee
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2021-09-01
Serier:Nanomaterials
Fag:
organic fluorescent dyes
NIR
time-dependent density functional theory (TDDFT)
many-body perturbation theory (MBPT)
<i>GW</i>-BSE
optical property
Online adgang:https://www.mdpi.com/2079-4991/11/9/2293
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