{"title":"Experimental and DFT studies of Ag and F doped Ti/Sn-SbOx/β-PbO2 anode electrocatalytic performance for copper electrowinning","authors":"Liting Wei , Buming Chen , Yapeng He , Chao Gao , Hui Huang , Zhongcheng Guo , Ruidong Xu","doi":"10.1016/j.mcat.2025.114926","DOIUrl":null,"url":null,"abstract":"<div><div>Titanium-based electrodes are widely utilized in metallurgy, the chemical industry and various industrial applications, However, there eletrodes face challenges, such as high oxygen precipitation potential and short service life. The electrochemical properties of electrode materials can be enhanced through doping, Ag and F doping is optimized to enhance the performance of titanium-based lead dioxide electrodes. In this study, Sn-SbO<sub>x</sub> was selected as the intermediate layer to improve adhesion, while Ag<sup>+</sup> and F<sup>-</sup> ions were doped to modify the lead dioxide active layer, thereby enhancing conductivity. We successfully synthesized the Ti/Sn-SbO<sub>x</sub>/β-PbO<sub>2</sub> anode, which exhibited lower overpotential, higher electrocatalytic activity, and improved stability compared to pure PbO<sub>2</sub> anode. The molecular mechanisms of dopant ions can be understood by investigating their atomic structures calculations based on density functional theory (DFT), including the electronic properties of the dopant model and free energy step diagram for oxygen precipitation reactions under acidic conditions. This work provides an effective and cost-effective strategy for improving precious metal utilization through the incorporation of nonmetals.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"576 ","pages":"Article 114926"},"PeriodicalIF":3.9000,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molecular Catalysis","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2468823125001129","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Titanium-based electrodes are widely utilized in metallurgy, the chemical industry and various industrial applications, However, there eletrodes face challenges, such as high oxygen precipitation potential and short service life. The electrochemical properties of electrode materials can be enhanced through doping, Ag and F doping is optimized to enhance the performance of titanium-based lead dioxide electrodes. In this study, Sn-SbOx was selected as the intermediate layer to improve adhesion, while Ag+ and F- ions were doped to modify the lead dioxide active layer, thereby enhancing conductivity. We successfully synthesized the Ti/Sn-SbOx/β-PbO2 anode, which exhibited lower overpotential, higher electrocatalytic activity, and improved stability compared to pure PbO2 anode. The molecular mechanisms of dopant ions can be understood by investigating their atomic structures calculations based on density functional theory (DFT), including the electronic properties of the dopant model and free energy step diagram for oxygen precipitation reactions under acidic conditions. This work provides an effective and cost-effective strategy for improving precious metal utilization through the incorporation of nonmetals.
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