Conceptual Examination of Pt Atom-Adorned WTe(2) for Improved Adsorption and Identification of CO and C(2)H(4) in Dissolved Gas Analysis

对铂原子修饰的WTe₂进行概念性研究,以提高其对溶解气体分析中CO和C₂H₄的吸附和识别性能。

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Abstract

The online monitoring of transformer insulation is crucial for ensuring power system stability and safety. Dissolved gas analysis (DGA), employing highly sensitive gas sensors to detect dissolved gas in transformer oil, offers a promising means to assess equipment insulation performance. Based on density functional theory (DFT), platinum modification of a WTe(2) monolayer was studied and the adsorption behavior of CO and C(2)H(4) on the Pt-WTe(2) monolayer was simulated. The results showed that the Pt atom could be firmly anchored to the W atoms in the WTe(2) monolayer, with a binding energy of -3.12 eV. The Pt-WTe(2) monolayer showed a trend toward chemical adsorption to CO and C(2)H(4) with adsorption energies of -2.46 and -1.88 eV, respectively, highlighting a stronger ability of Pt-WTe(2) to adsorb CO compared with C(2)H(4). Analyses of the band structure (BS) and density of states (DOS) revealed altered electronic properties in the Pt-WTe(2) monolayer after gas adsorption. The bandgap decreased to 1.082 eV in the CO system and 1.084 eV in the C(2)H(4) system, indicating a stronger interaction of Pt-WTe(2) with CO, corroborated by the analysis of DOS. Moreover, the observed change in work function (WF) was more significant in CO systems, suggesting the potential of Pt-WTe(2) as a WF-based gas sensor for CO detection. This study unveils the gas-sensing potential of the Pt-WTe(2) monolayer for transformer status evaluation, paving the way for the development of gas sensor preparation for DGA.

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