WTa 37 O 95.487 Nanocatalyst for Pollutant Degradation
WTa 37 O 95.487 Nanocatalyst for Pollutant Degradation
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WTa 37 O 95.487 污染物降解纳米催化剂
DOI：
10.1021/acs.jpcc.1c02481
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
Mohd Nasir S
中科院分区：
文献类型：
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作者：
Mohd Nasir S
有毒工业废水的排放对人类健康和水生生态系统造成了严重影响。WTa_（37）O_（95.487）是1971年报道的一种宽带隙材料，但由于其宽带隙和独特的晶体结构，还没有人对其光催化性能进行研究。在此，我们进行了详细的实验和密度泛函理论（DFT）模拟的WTa 37 O 95. 487纳米催化剂。研究了温度和光照强度对其晶体学、形貌、光学和光催化性能的影响。在150 °C（WT-1）下得到的粉末具有较高的光催化活性，亚甲基蓝染料在30 min内降解99%，伪一级动力学常数为0.0643 min-1。DFT模拟结果表明，WTa37O95.487的电子性质与理论值有很好的相关性，从而验证了该催化剂的催化性能。WTa_（37）O_（95. 487）纳米催化剂是一种新型高效的染料废水处理光催化剂。
The release of toxic industrial effluents has created serious impacts on human health and the aquatic ecosystem. WTa37O95.487is a wide-band gap material that was reported in 1971, but no one has investigated its photocatalytic properties due to its wide band gap and unique crystal structure. Herein, we carried out detailed experimental and density functional theory (DFT) simulations of WTa37O95.487nanocatalysts. The influence of temperature and light intensity on their crystallography, morphology, optical, and photocatalytic properties was studied. The powder obtained at 150 °C (WT-1) exhibited higher photocatalytic activity of 99% of methylene blue dye degradation within 30 min with a pseudo-first-order kinetics constant of 0.0643 min–1. DFT simulations revealed a good correlation between theory and experiment of electronic properties of WTa37O95.487, which consequently validate the catalytic performance of the catalyst. The WTa37O95.487nanocatalyst is proposed as a novel and effective photocatalyst for treating dye effluents of wastewater.