Photodegradation of indigo carmine over a (BiO) 2 CO 3 @ZnCo 2 O 4 heterojunction: experimental and DFT insights

Nanoscale Advances 2026 Open access

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Authors: Nguyễn Thị Mai Thơ, Nguyêñ Quôć Thǎńg, Minh An Tran Nguyen, Nguyen Thi Hong Anh, Nguyen Le Kim Phung
DOI: 10.1039/d6na00080k
Cited by: 1
References: 49

Abstract

has advanced the method for effective heterojunction photocatalysis. DFT-Fukui analysis shows that the indigo carmine molecule donates electrons, acting as a nucleophile, and TD-DFT calculations using B3LYP/6-311G(d,p) in aqueous solution produce a HOMO-LUMO gap for IC that aligns more closely with experimental data than previous results.

Fields of Study & Subjects

Advanced Photocatalysis Techniques Pigment Synthesis and Properties TiO2 Photocatalysis and Solar Cells

Publication details

Journal / source
Nanoscale Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
8
Issue
10
Pages
3234–3247
Publication date
1 January 2026
Language
EN