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Persulfate activation by two-dimensional MoS2 confining single Fe atoms: Performance, mechanism and DFT calculations.
Journal of Hazardous Materials ( IF 12.2 ) Pub Date : 2020-01-18 , DOI: 10.1016/j.jhazmat.2020.122137 Li-Zhi Huang 1 , Chu Zhou 1 , Miaolong Shen 1 , Enlai Gao 1 , Chunbo Zhang 1 , Xin-Ming Hu 2 , Yiqun Chen 1 , Yingwen Xue 1 , Zizheng Liu 1
Journal of Hazardous Materials ( IF 12.2 ) Pub Date : 2020-01-18 , DOI: 10.1016/j.jhazmat.2020.122137 Li-Zhi Huang 1 , Chu Zhou 1 , Miaolong Shen 1 , Enlai Gao 1 , Chunbo Zhang 1 , Xin-Ming Hu 2 , Yiqun Chen 1 , Yingwen Xue 1 , Zizheng Liu 1
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Developing efficient catalysts for persulfate (PS) activation is important for the potential application of sulfate-radical-based advanced oxidation process. Herein, we demonstrate single iron atoms confined in MoS2 nanosheets with dual catalytic sites and synergistic catalysis as highly reactive and stable catalysts for efficient catalytic oxidation of recalcitrant organic pollutants via activation of PS. The dual reaction sites and the interaction between Fe and Mo greatly enhance the catalytic performance for PS activation. The radical scavenger experiments and electron paramagnetic resonance results confirm and SO4- rather than HO is responsible for aniline degradation. The high catalytic performance of Fe0.36Mo0.64S2 was interpreted by density functional theory (DFT) calculations via strong metal-support interactions and the low formal oxidation state of Fe in FexMo1-xS2. FexMo1-xS2/PS system can effectively remove various persistent organic pollutants and works well in a real water environment. Also, FexMo1-xS2 can efficiently activate peroxymonosulfate, sulfite and H2O2, suggesting its potential practical applications under various circumstances.
中文翻译：
通过二维MoS2限制单个Fe原子的过硫酸盐活化：性能，机理和DFT计算。
开发用于过硫酸盐（PS）活化的高效催化剂对于基于硫酸根的先进氧化工艺的潜在应用非常重要。在这里，我们证明了具有双重催化位点和协同催化作用的MoS2纳米片中的单个铁原子是高反应性和稳定的催化剂，用于通过PS的活化有效催化难降解有机污染物的氧化。铁和钼之间的双重反应位点和相互作用大大增强了PS活化的催化性能。自由基清除剂实验和电子顺磁共振结果证实，SO4而非HO负责苯胺的降解。Fe0.36Mo0的高催化性能。通过强功能性金属-载体相互作用和FexMo1-xS2中Fe的低形式氧化态，通过密度泛函理论（DFT）计算来解释64S2。FexMo1-xS2 / PS系统可以有效去除各种持久性有机污染物，并在真实的水环境中运行良好。此外，FexMo1-xS2可以有效地活化过氧单硫酸盐，亚硫酸盐和H2O2，从而表明其在各种情况下的潜在实际应用。
更新日期：2020-01-21
中文翻译：
通过二维MoS2限制单个Fe原子的过硫酸盐活化：性能，机理和DFT计算。
开发用于过硫酸盐（PS）活化的高效催化剂对于基于硫酸根的先进氧化工艺的潜在应用非常重要。在这里，我们证明了具有双重催化位点和协同催化作用的MoS2纳米片中的单个铁原子是高反应性和稳定的催化剂，用于通过PS的活化有效催化难降解有机污染物的氧化。铁和钼之间的双重反应位点和相互作用大大增强了PS活化的催化性能。自由基清除剂实验和电子顺磁共振结果证实，SO4而非HO负责苯胺的降解。Fe0.36Mo0的高催化性能。通过强功能性金属-载体相互作用和FexMo1-xS2中Fe的低形式氧化态，通过密度泛函理论（DFT）计算来解释64S2。FexMo1-xS2 / PS系统可以有效去除各种持久性有机污染物，并在真实的水环境中运行良好。此外，FexMo1-xS2可以有效地活化过氧单硫酸盐，亚硫酸盐和H2O2，从而表明其在各种情况下的潜在实际应用。
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