Efficient visible light driven photocatalysis using BiOBr/BiOI heterojunction modified by Quercetin and defect engineering via simple mechanical grinding: Experiments & first-principles analysis.

Chawla, Harshita and Garg, Seema and Shukla, Chinmay Rakesh and Upadhyay, Sumant and Rohilla, Jyoti and Szamosvölgyi, Ákos and Efremova, Anastasiia and Szenti, Imre and Sápi, András and Ingole, Pravin Popinand and Kónya, Zoltán and Chandra, Amrish (2025) Efficient visible light driven photocatalysis using BiOBr/BiOI heterojunction modified by Quercetin and defect engineering via simple mechanical grinding: Experiments & first-principles analysis. MATERIALS RESEARCH BULLETIN, 184. No.-113268. ISSN 0025-5408

Preview

Text 1-s2.0-S0025540824005968-main.pdf - Published Version Download (9MB) | Preview

Abstract

Herein we report construction of a dual heterojunction-based system consisting of simultaneous type-III and pn junction between Q/BiOBr/BiOI. The concentration of bismuth oxyhalides were varied from 0.2 to 0.8 viz. BiOBryI1-y-Q (y =0.2, 0.4, 0.5,0.6, 0.8). The as-fabricated photocatalysts were used for photochemical- disintegration of Methyl Orange (MO) and Phenol (Ph) and the best activity was found for the BiOBr0.8I0.2-Q [MO (86.01 %, 90 min); Ph (69.9 %, 180 min)] heterostructures. The fabricated heterostructures were endowed with oxygen-vacancies within 15-minutes of fabrication time. During fabrication, Quercetin was able to grow on p-type-BiOBr and n-type-BiOI due to the presence of positively charged Bi(III)ions and negatively charged Oxygen ions of Q, respectively. The formation of the pn-junction was confirmed by the Mott-Schottky plot. Significantly, the Q was not only able to reduce BiOBr/ BiOI but was also able to create surface-oxygen- vacancies, which effectually improved visible-light absorption as well as charge separation efficiency. The photocatalytic efficiency has significantly convalesced from pristine BiOBr and BiOI. First-Principles Density Functional Theory (DFT) based calculations were performed on pristine BiOBr, BiOI as well as BiOBryI1-y-Q with and without oxygen vacancies, and an insightful understanding of the heterojunction formation, effect of oxygen vacancies, physical mechanism, and superior photocatalytic performance of BiOBr0.8I0.2-Q heterostructure over other samples have been provided.

Actions (login required)

Edit Item