Details

Autor(en) / Beteiligte

• Sharma, Kusum
• Sonu
• Sudhaik, Anita
• Ahamad, Tansir
• Kaya, Savas
• Nguyen, Lan Huong
• Maslov, Mikhail M.
• Le, Quyet Van
• Nguyen, Van-Huy
• Singh, Pardeep
• Raizada, Pankaj

Titel

Unraveling the synergism mechanistic insight of O-vacancy and interfacial charge transfer in WO3-x decorated on Ag2CO3/BiOBr for photocatalysis of water pollutants: Based on experimental and density functional theory (DFT) studies

Ist Teil von

• Environmental research, 2024-11, Vol.260, p.119610, Article 119610

Ort / Verlag

Elsevier Inc

Erscheinungsjahr

2024

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Photocatalysis has been widely used as one of the most promising approaches to remove various pollutants in liquid or gas phases during the last decade. The main emphasis of the study is on the synergy of vacancy engineering and heterojunction formation, two widely used modifying approaches, to significantly alter photocatalytic performance. The vacancy-induced Ag2CO3/BiOBr/WO3-x heterojunction system has been fabricated using a co-precipitation technique to efficiently abate methylene blue (MB) dye and doxycycline (DC) antibiotic. The as-fabricated Ag2CO3/BiOBr/WO3-x heterojunction system displayed improved optoelectronic characteristic features because of the rational combination of dual charge transferal route and defect modulation. The Ag2CO3/BiOBr/WO3-x system possessed 97% and 74% photodegradation efficacy for MB and DC, respectively, with better charge isolation and migration efficacy. The ternary photocatalyst possessed a multi-fold increase in the reaction rate for both MB and DC, i.e., 0.021 and 0.0078 min−1, respectively, compared to pristine counterparts. Additionally, more insightful deductions about the photodegradation routes were made possible by the structural investigations of MB and DC using density functional theory (DFT) simulations. This study advances the understanding of the mechanisms forming visible light active dual Z-scheme heterojunction for effective environmental remediation. •Vacancy induced Ag2CO3/BiOBr/WO3-x was fabricated using co-precipitation method.•OV in WO3 and dual charge transferal route synergistically boosted the charge isolation efficacy.••OH, and •O2− were the main reactive species responsible for the photodegradation of MB and DC.•The MB and DC degradation pathways are validated by DFT and experimental studies.•97%, and 74% degradation efficacies were obtained for MB and DC, respectively within 1h 15 min.