Modulating D-Band Center of SrTiO<sub>3</sub> by Co Doping for Boosted Peroxymonosulfate (PMS) Activation Under Visible Light
Peroxymonosulfate (PMS)-based advanced oxidation technology has emerged as an effective means for removing organic pollutants from water due to its strong oxidizing ability. However, enhancing the activation efficiency of PMS represents a key challenge at present. SrTiO<sub>3</sub>, a ty...
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2025-06-01
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| author | Kaining Sun Xinyi Yang Fei Qi Yingjie Liu Lijing Wang Bo Feng Jiankang Yu Guangbo Che |
| author_facet | Kaining Sun Xinyi Yang Fei Qi Yingjie Liu Lijing Wang Bo Feng Jiankang Yu Guangbo Che |
| author_sort | Kaining Sun |
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| description | Peroxymonosulfate (PMS)-based advanced oxidation technology has emerged as an effective means for removing organic pollutants from water due to its strong oxidizing ability. However, enhancing the activation efficiency of PMS represents a key challenge at present. SrTiO<sub>3</sub>, a typical perovskite metal oxide, holds potential in the field of the photocatalytic degradation of pollutants, yet its application is limited by the wide bandgap and fast carrier recombination rates. This study optimized the photocatalytic performance of SrTiO<sub>3</sub> by regulating its electronic structure and optical properties through cobalt (Co) doping. Experimental results (TRPL, TPV, UV–Vis DRS, ESR, etc.) and DFT calculations (GGA-PBE) demonstrated that Co doping shifted the d-band center of SrTiO<sub>3</sub> upwards, optimized the adsorption energy of SO<sub>4</sub><sup>−</sup>, enhanced the sunlight response range, and significantly improved carrier extraction efficiency. Under visible light irradiation, 2,4-dichlorophenol (2,4-DCP) could be effectively degraded within 60 min in a wide pH range. Through Fukui function calculation (B3LYP/6-31G*) and experimental characterization analysis (HPLC-MS and IC), the possible degradation pathways of 2,4-DCP and the mechanism for photocatalysis were investigated. The toxicity analysis (T.E.S.T) confirmed the reduced toxicity of the degradation products of 2,4-DCPs. This study provides a reference for the catalyst design and optimization strategy of PMS-based advanced oxidation technology. |
| format | Article |
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| institution | Kabale University |
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| language | English |
| publishDate | 2025-06-01 |
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| spelling | doaj-art-f1a5f050151a419fbda30c558a6fd18b2025-08-20T03:27:38ZengMDPI AGMolecules1420-30492025-06-013012261810.3390/molecules30122618Modulating D-Band Center of SrTiO<sub>3</sub> by Co Doping for Boosted Peroxymonosulfate (PMS) Activation Under Visible LightKaining Sun0Xinyi Yang1Fei Qi2Yingjie Liu3Lijing Wang4Bo Feng5Jiankang Yu6Guangbo Che7College of Safety Science and Engineering, Liaoning Technical University, Huludao 125105, ChinaCollege of Safety Science and Engineering, Liaoning Technical University, Huludao 125105, ChinaJilin Provincial Key Laboratory of Western Jilin’s Clean Energy, Baicheng Normal University, Baicheng 137000, ChinaJilin Provincial Key Laboratory of Western Jilin’s Clean Energy, Baicheng Normal University, Baicheng 137000, ChinaHenan Engineering Center of New Energy Battery Materials, Henan D&A Engineering Center of Advanced Battery Materials, College of Chemistry and Chemical Engineering, Shangqiu Normal University, Shangqiu 476000, ChinaJilin Provincial Key Laboratory of Western Jilin’s Clean Energy, Baicheng Normal University, Baicheng 137000, ChinaCollege of Safety Science and Engineering, Liaoning Technical University, Huludao 125105, ChinaJilin Provincial Key Laboratory of Western Jilin’s Clean Energy, Baicheng Normal University, Baicheng 137000, ChinaPeroxymonosulfate (PMS)-based advanced oxidation technology has emerged as an effective means for removing organic pollutants from water due to its strong oxidizing ability. However, enhancing the activation efficiency of PMS represents a key challenge at present. SrTiO<sub>3</sub>, a typical perovskite metal oxide, holds potential in the field of the photocatalytic degradation of pollutants, yet its application is limited by the wide bandgap and fast carrier recombination rates. This study optimized the photocatalytic performance of SrTiO<sub>3</sub> by regulating its electronic structure and optical properties through cobalt (Co) doping. Experimental results (TRPL, TPV, UV–Vis DRS, ESR, etc.) and DFT calculations (GGA-PBE) demonstrated that Co doping shifted the d-band center of SrTiO<sub>3</sub> upwards, optimized the adsorption energy of SO<sub>4</sub><sup>−</sup>, enhanced the sunlight response range, and significantly improved carrier extraction efficiency. Under visible light irradiation, 2,4-dichlorophenol (2,4-DCP) could be effectively degraded within 60 min in a wide pH range. Through Fukui function calculation (B3LYP/6-31G*) and experimental characterization analysis (HPLC-MS and IC), the possible degradation pathways of 2,4-DCP and the mechanism for photocatalysis were investigated. The toxicity analysis (T.E.S.T) confirmed the reduced toxicity of the degradation products of 2,4-DCPs. This study provides a reference for the catalyst design and optimization strategy of PMS-based advanced oxidation technology.https://www.mdpi.com/1420-3049/30/12/2618photo-fenton reactionCo-SrTiO<sub>3</sub>PMS activationcarrier extraction |
| spellingShingle | Kaining Sun Xinyi Yang Fei Qi Yingjie Liu Lijing Wang Bo Feng Jiankang Yu Guangbo Che Modulating D-Band Center of SrTiO<sub>3</sub> by Co Doping for Boosted Peroxymonosulfate (PMS) Activation Under Visible Light Molecules photo-fenton reaction Co-SrTiO<sub>3</sub> PMS activation carrier extraction |
| title | Modulating D-Band Center of SrTiO<sub>3</sub> by Co Doping for Boosted Peroxymonosulfate (PMS) Activation Under Visible Light |
| title_full | Modulating D-Band Center of SrTiO<sub>3</sub> by Co Doping for Boosted Peroxymonosulfate (PMS) Activation Under Visible Light |
| title_fullStr | Modulating D-Band Center of SrTiO<sub>3</sub> by Co Doping for Boosted Peroxymonosulfate (PMS) Activation Under Visible Light |
| title_full_unstemmed | Modulating D-Band Center of SrTiO<sub>3</sub> by Co Doping for Boosted Peroxymonosulfate (PMS) Activation Under Visible Light |
| title_short | Modulating D-Band Center of SrTiO<sub>3</sub> by Co Doping for Boosted Peroxymonosulfate (PMS) Activation Under Visible Light |
| title_sort | modulating d band center of srtio sub 3 sub by co doping for boosted peroxymonosulfate pms activation under visible light |
| topic | photo-fenton reaction Co-SrTiO<sub>3</sub> PMS activation carrier extraction |
| url | https://www.mdpi.com/1420-3049/30/12/2618 |
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