Adsorption Behavior of Dissolved Gas Molecules in Transformer Oil on Rh Modified GeSe Monolayer

Yunfeng Long; Zhaoyu Peng; Liang-Yan Guo; Xiaohui He; Mengyao Zhu; Zewen Yang; Taiwen Liu

doi:10.1021/acsomega.3c09001

Adsorption Behavior of Dissolved Gas Molecules in Transformer Oil on Rh Modified GeSe Monolayer

ACS Omega. 2024 Jan 31;9(6):7061-7068. doi: 10.1021/acsomega.3c09001. eCollection 2024 Feb 13.

Authors

Yunfeng Long¹, Zhaoyu Peng¹, Liang-Yan Guo², Xiaohui He¹, Mengyao Zhu¹, Zewen Yang¹, Taiwen Liu¹

Affiliations

¹ Yunnan Key Laboratory of Green Energy, Electric Power Measurement Digitalization, Control and Protection, Electric Power Research Instute of Yunnan Power Grid Company, Limited, Kunming 650214, Yunnan, China.
² National Key Laboratory of Power Transmission Equipment Technology, School of Electrical Engineering, Chongqing University, Chongqing 400044, China.

Abstract

Dissolved gas analysis in transformer oil is useful for detecting early transformer failures. The research on gas sensors for monitoring dissolved gas in transformer oil has attracted wide attention from academia and industry. In this study, Rh-doped GeSe monolayers were used as gas sensing materials based on the density functional theory (DFT). The potential of the Rh-GeSe monolayer as a gas sensor was evaluated by calculating the geometric structure, adsorption distance (d_sub/gas), binding energy (E_b), adsorption energy (E_ads), transfer charge (ΔQ), the density of states (DOS), band structure, electron localization function (ELF), charge difference density (CDD), and sensitivity (S) of Rh-GeSe monolayer with eight gas molecules (SO₂, C₂H₂, NO₂, H₂, CH₄, CO₂, H₂S, and CO). The results show that the Rh-GeSe monolayer has a prominent response to SO₂, C₂H₂, and NO₂ gas molecules and has great potential to become an excellent gas sensor. This study provides a theoretical basis for the application of Rh-GeSe monolayer in the field of gas sensing and provides a new way for the development of other gas sensors.