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Geometric Structure, Electronic, and Spectral Properties of Metal-free Phthalocyanine under the External Electric Fields

Authors :
Yue-Ju Yang
Shi-Xiong Li
De-Liang Chen
Zheng-Wen Long
Source :
ACS Omega. 7:41266-41274
Publication Year :
2022
Publisher :
American Chemical Society (ACS), 2022.

Abstract

Here, the ground-state structures, electronic structures, polarizability, and spectral properties of metal-free phthalocyanine (H

Details

ISSN :
24701343
Volume :
7
Database :
OpenAIRE
Journal :
ACS Omega
Accession number :
edsair.doi.dedup.....584717f5e1b9ea08fe030222cf0982d5
Full Text :
https://doi.org/10.1021/acsomega.2c04941