Zn-TiO2/AC photocatalysts for pollutants degradation from experimental and DFT studies

IF 3.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Molecular Catalysis Pub Date : 2025-03-23 DOI:10.1016/j.mcat.2025.115037

Xiao Chu, Chen Chen, Ying Liang, Yuliang Chen, Yuliang Wu, Yijiang Liu, Rui Meng, Wenmin Wang, Weiwei Huang, Fei Yang, Xuesong Yi, Jun Cheng

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Abstract

The massive emission of dye wastewater has caused significant environmental problems. In this study, zinc-doped titanium dioxide loaded on biochar was synthesized by a simple solvothermal method to investigate its ability of degradation for dyes in photocatalytic process. The discussion focused on the impact of unactivated, acid-activated, and alkali-activated biochar on the properties of composites. Additionally, the composite catalysts underwent comprehensive physical and chemical characterization. The results showed that the particle size of Zn-TiO₂OHAC increased significantly, which improved the sedimentation performance. Zn-TiO₂OHAC demonstrated exceptional photocatalytic efficiency in the degradation of various pollutants such as Rhodamine B, Congo Red, Methyl Orange, and Methylene Blue. The better performance of the alkali-treated biochar-loaded composite catalysts was attributed to the fact that the alkali-treated biochar changed the electronic structure of the loaded materials and contained more carbon-oxygen functional groups, which was favorable for the separation of electrons and holes.

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Zn-TiO2/AC光催化剂降解污染物的实验和DFT研究

染料废水的大量排放造成了严重的环境问题。本研究采用简单的溶剂热法合成了负载在生物炭上的掺杂锌的二氧化钛，考察了其光催化降解染料的能力。重点讨论了未活化、酸活化和碱活化的生物炭对复合材料性能的影响。此外，对复合催化剂进行了全面的物理和化学表征。结果表明，Zn-TiO2OHAC的粒径明显增大，提高了沉降性能。Zn-TiO2OHAC在各种污染物如罗丹明B、刚果红、甲基橙和亚甲基蓝的降解中表现出优异的光催化效率。碱处理的生物炭负载复合催化剂性能较好是由于碱处理的生物炭改变了负载材料的电子结构，含有更多的碳-氧官能团，有利于电子和空穴的分离。

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来源期刊

Molecular Catalysis Chemical Engineering-Process Chemistry and Technology

CiteScore

6.90

自引率

10.90%

发文量

700

审稿时长

40 days

期刊介绍： Molecular Catalysis publishes full papers that are original, rigorous, and scholarly contributions examining the molecular and atomic aspects of catalytic activation and reaction mechanisms. The fields covered are: Heterogeneous catalysis including immobilized molecular catalysts Homogeneous catalysis including organocatalysis, organometallic catalysis and biocatalysis Photo- and electrochemistry Theoretical aspects of catalysis analyzed by computational methods