{"title":"掺杂 WTe2 的 Cun、Agn 和 Rhn(n=1-3)团簇对变压器绕组变形故障气体的吸附和气体传感特性","authors":"","doi":"10.1016/j.colsurfa.2024.135550","DOIUrl":null,"url":null,"abstract":"<div><div>In order to solve the problem that the initial WTe<sub>2</sub> has poor adsorption effect on transformer winding deformation fault gas, this paper uses density functional theory (DFT) to study the adsorption behavior of three target gases (CO, C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub>) on the surface of WTe<sub>2</sub> substrate doped with three metal clusters: Cu<sub>n</sub>, Ag<sub>n</sub>, and Rh<sub>n</sub> (n=1-3). By analyzing the adsorption distance, adsorption energy, DCD and DOS of the three systems, the effect of metal cluster doping on the adsorption of fault gas by WTe<sub>2</sub> was revealed. The results show that metal cluster doping can effectively improve the conductivity of WTe<sub>2</sub> substrate and make its band structure more compact. CO and C<sub>2</sub>H<sub>2</sub> have good adsorption characteristics in the three doping systems, while CO<sub>2</sub> can be effectively adsorbed by Rh cluster-doped WTe<sub>2</sub>. In addition, this article also uses work function and band gap to analyze the effect of gas adsorption on substrate conductivity, and discusses the practical application prospects of the three metal cluster doping systems from the perspectives of recovery time and sensitivity, and achieved good results. This paper provides theoretical guidance for exploring the application prospects of WTe<sub>2</sub> substrate in transformer winding deformation fault diagnosis and gas detection.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":null,"pages":null},"PeriodicalIF":4.9000,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Adsorption and gas sensing properties of Cun, Agn and Rhn (n=1–3) clusters doped with WTe2 for transformer winding deformation fault gases\",\"authors\":\"\",\"doi\":\"10.1016/j.colsurfa.2024.135550\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In order to solve the problem that the initial WTe<sub>2</sub> has poor adsorption effect on transformer winding deformation fault gas, this paper uses density functional theory (DFT) to study the adsorption behavior of three target gases (CO, C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub>) on the surface of WTe<sub>2</sub> substrate doped with three metal clusters: Cu<sub>n</sub>, Ag<sub>n</sub>, and Rh<sub>n</sub> (n=1-3). By analyzing the adsorption distance, adsorption energy, DCD and DOS of the three systems, the effect of metal cluster doping on the adsorption of fault gas by WTe<sub>2</sub> was revealed. The results show that metal cluster doping can effectively improve the conductivity of WTe<sub>2</sub> substrate and make its band structure more compact. CO and C<sub>2</sub>H<sub>2</sub> have good adsorption characteristics in the three doping systems, while CO<sub>2</sub> can be effectively adsorbed by Rh cluster-doped WTe<sub>2</sub>. In addition, this article also uses work function and band gap to analyze the effect of gas adsorption on substrate conductivity, and discusses the practical application prospects of the three metal cluster doping systems from the perspectives of recovery time and sensitivity, and achieved good results. This paper provides theoretical guidance for exploring the application prospects of WTe<sub>2</sub> substrate in transformer winding deformation fault diagnosis and gas detection.</div></div>\",\"PeriodicalId\":278,\"journal\":{\"name\":\"Colloids and Surfaces A: Physicochemical and Engineering Aspects\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.9000,\"publicationDate\":\"2024-10-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Colloids and Surfaces A: Physicochemical and Engineering Aspects\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0927775724024142\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927775724024142","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Adsorption and gas sensing properties of Cun, Agn and Rhn (n=1–3) clusters doped with WTe2 for transformer winding deformation fault gases
In order to solve the problem that the initial WTe2 has poor adsorption effect on transformer winding deformation fault gas, this paper uses density functional theory (DFT) to study the adsorption behavior of three target gases (CO, C2H2 and CO2) on the surface of WTe2 substrate doped with three metal clusters: Cun, Agn, and Rhn (n=1-3). By analyzing the adsorption distance, adsorption energy, DCD and DOS of the three systems, the effect of metal cluster doping on the adsorption of fault gas by WTe2 was revealed. The results show that metal cluster doping can effectively improve the conductivity of WTe2 substrate and make its band structure more compact. CO and C2H2 have good adsorption characteristics in the three doping systems, while CO2 can be effectively adsorbed by Rh cluster-doped WTe2. In addition, this article also uses work function and band gap to analyze the effect of gas adsorption on substrate conductivity, and discusses the practical application prospects of the three metal cluster doping systems from the perspectives of recovery time and sensitivity, and achieved good results. This paper provides theoretical guidance for exploring the application prospects of WTe2 substrate in transformer winding deformation fault diagnosis and gas detection.
期刊介绍:
Colloids and Surfaces A: Physicochemical and Engineering Aspects is an international journal devoted to the science underlying applications of colloids and interfacial phenomena.
The journal aims at publishing high quality research papers featuring new materials or new insights into the role of colloid and interface science in (for example) food, energy, minerals processing, pharmaceuticals or the environment.