{"title":"在Bi2WO6上设计氧缺陷以促进光电催化水分解","authors":"Xiao Li, Jinlong Bai, Jiahui Wang, Xueyang Leng, Hui Liang, Lina Bai, Lingling Xu","doi":"10.1016/j.jallcom.2025.181516","DOIUrl":null,"url":null,"abstract":"Oxygen vacancies play a crucial role in modulating the chemical and physical properties of metal oxides, significantly impacting semiconductor conductivity and facilitating the dissociation and transportation of photoinduced charge carriers. In this study, Bi<sub>2</sub>WO<sub>6</sub> films were treated with NaBH<sub>4</sub> solutions of varying concentrations to effectively introduce oxygen vacancies. The presence and effects of oxygen vacancies was examined from the perspectives of crystal structure by using XRD refinement and energy band structure diagram based on the density functional theory (DFT) calculation. In the photoelectrochemical water oxidation process, the optimized sample exhibited a more negative onset potential compared to pristine Bi<sub>2</sub>WO<sub>6</sub> and exhibited a photocurrent density of 0.015 mA cm<sup>−2</sup>(vs. RHE), which is about 5-fold higher than that of the pristine material (0.076 mA cm<sup>−2</sup>). This study provides a simple and effective approach to engineering Bi<sub>2</sub>WO<sub>6</sub> electrodes, thereby enhancing the efficiency of photoelectrochemical water splitting.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"4 1","pages":""},"PeriodicalIF":6.3000,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Engineering oxygen defects on Bi2WO6 to facilitate photoelectrocatalytic water splitting\",\"authors\":\"Xiao Li, Jinlong Bai, Jiahui Wang, Xueyang Leng, Hui Liang, Lina Bai, Lingling Xu\",\"doi\":\"10.1016/j.jallcom.2025.181516\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Oxygen vacancies play a crucial role in modulating the chemical and physical properties of metal oxides, significantly impacting semiconductor conductivity and facilitating the dissociation and transportation of photoinduced charge carriers. In this study, Bi<sub>2</sub>WO<sub>6</sub> films were treated with NaBH<sub>4</sub> solutions of varying concentrations to effectively introduce oxygen vacancies. The presence and effects of oxygen vacancies was examined from the perspectives of crystal structure by using XRD refinement and energy band structure diagram based on the density functional theory (DFT) calculation. In the photoelectrochemical water oxidation process, the optimized sample exhibited a more negative onset potential compared to pristine Bi<sub>2</sub>WO<sub>6</sub> and exhibited a photocurrent density of 0.015 mA cm<sup>−2</sup>(vs. RHE), which is about 5-fold higher than that of the pristine material (0.076 mA cm<sup>−2</sup>). This study provides a simple and effective approach to engineering Bi<sub>2</sub>WO<sub>6</sub> electrodes, thereby enhancing the efficiency of photoelectrochemical water splitting.\",\"PeriodicalId\":344,\"journal\":{\"name\":\"Journal of Alloys and Compounds\",\"volume\":\"4 1\",\"pages\":\"\"},\"PeriodicalIF\":6.3000,\"publicationDate\":\"2025-06-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Alloys and Compounds\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1016/j.jallcom.2025.181516\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Alloys and Compounds","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1016/j.jallcom.2025.181516","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
摘要
氧空位在调节金属氧化物的化学和物理性质中起着至关重要的作用,显著影响半导体的电导率,促进光诱导载流子的解离和运输。在本研究中,用不同浓度的NaBH4溶液处理Bi2WO6薄膜,以有效引入氧空位。利用XRD精化和密度泛函理论(DFT)计算的能带结构图,从晶体结构的角度考察了氧空位的存在及其影响。在光电化学水氧化过程中,与原始Bi2WO6相比,优化后的样品表现出更负的起电位,光电流密度为0.015 mA cm−2(vs。RHE),约为原始材料的5倍(0.076 mA cm−2)。本研究为工程化Bi2WO6电极提供了一种简单有效的方法,从而提高了光电化学水分解的效率。
Engineering oxygen defects on Bi2WO6 to facilitate photoelectrocatalytic water splitting
Oxygen vacancies play a crucial role in modulating the chemical and physical properties of metal oxides, significantly impacting semiconductor conductivity and facilitating the dissociation and transportation of photoinduced charge carriers. In this study, Bi2WO6 films were treated with NaBH4 solutions of varying concentrations to effectively introduce oxygen vacancies. The presence and effects of oxygen vacancies was examined from the perspectives of crystal structure by using XRD refinement and energy band structure diagram based on the density functional theory (DFT) calculation. In the photoelectrochemical water oxidation process, the optimized sample exhibited a more negative onset potential compared to pristine Bi2WO6 and exhibited a photocurrent density of 0.015 mA cm−2(vs. RHE), which is about 5-fold higher than that of the pristine material (0.076 mA cm−2). This study provides a simple and effective approach to engineering Bi2WO6 electrodes, thereby enhancing the efficiency of photoelectrochemical water splitting.
期刊介绍:
The Journal of Alloys and Compounds is intended to serve as an international medium for the publication of work on solid materials comprising compounds as well as alloys. Its great strength lies in the diversity of discipline which it encompasses, drawing together results from materials science, solid-state chemistry and physics.