Quantum Chemical Simulation of the <i>Q</i><sub>y</sub> Absorption Spectrum of Zn Chlorin Aggregates for Artificial Photosynthesis

Quantum Chemical Simulation of the <i>Q</i><sub>y</sub> Absorption Spectrum of Zn Chlorin Aggregates for Artificial Photosynthesis

Zn chlorin (Znchl) is easy to synthesize and has similar optical properties to those of bacteriochlorophyll c in the nature, which is expected to be used as a light-harvesting antenna system in artificial photosynthesis. In order to further explore the optical characteristics of Znchl, various sizes...

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Bibliographic Details
Main Authors: Zhimo Wang, Bingbing Suo, Shiwei Yin, Wenli Zou
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:Molecules
Subjects:
<i>Q<sub>y</sub></i> absorption spectra
explicit solvent model
layered aggregates
förster coupling theory
time-dependent density functional theory
Online Access:https://www.mdpi.com/1420-3049/26/4/1086

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https://www.mdpi.com/1420-3049/26/4/1086

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