掺钼NiFe2O4光催化剂的光fenton降解

IF 3.5 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Dalton Transactions Pub Date : 2025-04-28 DOI:10.1039/d4dt03359k

Anshu Shrivastava, Uttam Kumar, Indrajit Sinha

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引用次数: 0

摘要

NiFe2O4是一种磁性材料，通过适当的金属离子掺杂可以改变其光芬顿特性。我们进行了初步的DFT和TD-DFT计算，发现光激发钼掺杂的NiFe2O4与H2O2有效地相互作用，产生羟基自由基。基于这一预测，我们制备了mo掺杂的NiFe2O4，并测试了其光fenton降解四环素（TC）的活性。mo掺杂的NiFe2O4纳米颗粒具有明显的细粒度和超顺磁性，易于事后分离。实验和DFT计算结果表明，mo掺杂剂取代了占据NiFe2O4八面体位置的Fe3+。mo的掺杂延长了NiFe2O4的吸收边，降低了NiFe2O4的界面电荷转移阻力。mo掺杂的NiFe2O4纳米颗粒表现出优异的TC光- fenton降解活性，并具有适当的可回收性。结合实验和DFT计算结果，提出了可能的光-芬顿机制。

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Photo-Fenton degradation on Mo-doped NiFe2O4 photocatalyst

The poor photo-Fenton properties of NiFe2O4, a magnetic material, can be altered by appropriate metal ion doping. We carried out preliminary DFT and TD-DFT calculations and found that the photoexcited molybdenum doped NiFe2O4 interacts effectively with H2O2 for hydroxyl radical generation. Based on this prediction, we prepared Mo-doped NiFe2O4 and tested its photo-Fenton activity for tetracycline (TC) degradation. The Mo-doped NiFe2O4 nanoparticles were significantly finer in size and superparamagnetic, enabling easy after-use separation. Experimental and DFT calculation results showed that the Mo-dopant substitutes the Fe3+ occupying the octahedral site in NiFe2O4. Mo-doping extended the absorption edge and decreased the interfacial charge transfer resistance of NiFe2O4. The Mo-doped NiFe2O4 nanoparticles demonstrated excellent TC photo-Fenton degradation activity, along with appropriate recyclability. A combination of experimental and DFT calculation results indicated the possible photo-Fenton mechanism.

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来源期刊

Dalton Transactions 化学-无机化学与核化学

CiteScore

6.60

自引率

7.50%

发文量

1832

审稿时长

1.5 months

期刊介绍： Dalton Transactions is a journal for all areas of inorganic chemistry, which encompasses the organometallic, bioinorganic and materials chemistry of the elements, with applications including synthesis, catalysis, energy conversion/storage, electrical devices and medicine. Dalton Transactions welcomes high-quality, original submissions in all of these areas and more, where the advancement of knowledge in inorganic chemistry is significant.