Enhanced photodegradation of methylene blue by Zr-doped TiO2:A combined DFT and experimental investigation

被引：9

作者：

Bathula, Chinna ^{[1
]}

Nissimagoudar, Arun S. ^{[2
]}

Kumar, Subalakshmi ^{[3
,4
]}

Jana, Atanu ^{[5
]}

Sekar, Sankar ^{[3
,4
]}

Lee, Sejoon ^{[3
,4
]}

Kim, Hyun-Seok ^{[1
]}

机构：

[1] Dongguk Univ Seoul, Div Elect & Elect Engn, Seoul 04620, South Korea

[2] Korea Inst Sci & Technol, Indo Korea Sci & Technol Ctr, Bangalore 560065, India

[3] Dongguk Univ Seoul, Dept Semicond Sci, Seoul 04620, South Korea

[4] Dongguk Univ Seoul, Quantum Funct Semicond Res Ctr, Seoul 04620, South Korea

[5] Dongguk Univ Seoul, Coll AI Convergence, Div Syst Semicond, Seoul 04620, South Korea

来源：

INORGANIC CHEMISTRY COMMUNICATIONS | 2024年 / 164卷

关键词：

Band tuning; Zr doping; TiO; 2; Dye degradation; Methylene blue; Photocatalysis; PHOTOCATALYTIC ACTIVITY; RHODAMINE-B; NANOPARTICLES; SPHERES;

D O I：

10.1016/j.inoche.2024.112442

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The effective mitigation of effluents in water has attracted researchers as a foremost task for addressing environmental concerns. To overcome these concerns, TiO2 (labeled as PCT-1) and Zr-doped TiO2 (labeled as PCT-2) nano catalysts are prepared by an efficient sol-gel protocol and their photocatalytic degradation performance of methylene blue (MB) is investigated. The structural integrity of nanostructures is determined by analytical tools. More than 96 % MB degradation is observed when PCT-2 is subjected to ultraviolet light for 180 min. Nanosized PCT-2 exhibits attractively advanced photocatalytic performance than PCT-1 owing to lower electron-hole pair recombination (3.02 eV) as well as superior photon capture via oxidation by photocatalytic response (confirmed through active species trapping scavenger tests). Furthermore, the results of bandgap are also confirmed by spinpolarized density functional theory (DFT) computations. The findings of this study indicate that band tuning is an attractive photocatalytic system for improving catalytic performance.

引用

页数：8

共 47 条

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