Adsorption and gas sensing properties of Cun, Agn and Rhn (n=1–3) clusters doped with WTe2 for transformer winding deformation fault gases

IF 4.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Colloids and Surfaces A: Physicochemical and Engineering Aspects Pub Date : 2024-10-11 DOI:10.1016/j.colsurfa.2024.135550

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引用次数: 0

Abstract

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: Cu_n, Ag_n, and Rh_n (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.

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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

为了解决初始 WTe2 对变压器绕组变形故障气体吸附效果不佳的问题，本文采用密度泛函理论（DFT）研究了三种目标气体（CO、C2H2 和 CO2）在掺杂了三种金属团簇的 WTe2 衬底表面的吸附行为：Cun、Agn 和 Rhn（n=1-3）。通过分析三个体系的吸附距离、吸附能、DCD 和 DOS，揭示了金属团簇掺杂对 WTe2 吸附故障气体的影响。结果表明，掺杂金属团簇能有效提高 WTe2 衬底的导电性，并使其带状结构更加紧凑。在三种掺杂体系中，CO 和 C2H2 都具有良好的吸附特性，而 Rh 簇掺杂的 WTe2 能有效吸附 CO2。此外，本文还利用功函数和带隙分析了气体吸附对衬底电导率的影响，并从恢复时间和灵敏度的角度探讨了三种金属簇掺杂体系的实际应用前景，取得了良好的效果。本文为探索 WTe2 衬底在变压器绕组变形故障诊断和气体检测中的应用前景提供了理论指导。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Colloids and Surfaces A: Physicochemical and Engineering Aspects 化学-物理化学

CiteScore

8.70

自引率

9.60%

发文量

2421

审稿时长

56 days

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.