Theoretical investigation of the optoelectronic response of highly correlated Cu<sub>3</sub>P photocatalyst-Reference-Cited by-同舟云学术

Theoretical investigation of the optoelectronic response of highly correlated Cu₃P photocatalyst

Published:2022 Issue:32 Volume:12 Page:20721-20726
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Ahmad Haseeb¹,Rauf Ali²^ORCID,Muhammad Shoaib²³

Affiliation:

1. Department of Physics, Lahore University of Management Sciences, Lahore, Pakistan

2. Department of Chemistry and Chemical Engineering, Lahore University of Management Sciences, Lahore, Pakistan

3. Department of Chemistry, University of Calgary, Calgary, AB, T2N 1N4, Canada

Abstract

The optical absorption from BSE@PBE0 is in better agreement with the experiment than BSE@DFT+U. The electron–hole interaction and strong correlation between electrons play a vital role in the optoelectronic response of Cu3P.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA02472A

Reference50 articles.

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4. Designing a New Efficient Photocatalyst Based on Functionalization of Zn-Infinite Coordination Polymer with Ru(acac)3 Complex for Dye Degradation in Aqueous Solutions: Charge Separation Effect

5. DFT study of various tungstates for photocatalytic water splitting

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