高电压技术2025，Vol.51Issue(7)：3245-3257,13.DOI:10.13336/j.1003-6520.hve.20241136
钯掺杂硫化镉对油中特征气体的吸附及传感性能
Adsorption and Sensing Performance of Palladium-doped Cadmium Sulfide for Oil-immersed Characteristic Gases
摘要
Abstract
It is of practical significance to ensure the proper operation of oil-immersed transformers,and the monitoring the concentrations of dissolved characteristic gas in oil enables effective operational status surveillance.To develop high-performance sensors for detecting characteristic gases in oil,first-principles calculations were employed to investi-gate the adsorption and sensing properties of monolayer CdS and Palladium(Pd)-doped monolayer CdS towards the characteristic gases in oil CO,C2H4,CH4,C2H2,and H2.The adsorption energies of monolayer CdS for CO,C2H4,CH4,C2H2,and H2 are found to be-1.95,-1.92-1.82,-2.62 eV,and-2.27 eV,respectively.For Pd—CdS,the adsorption en-ergies for these gases are-2.21,-1.39,-0.28,-0.81 eV,and-1.72 eV,respectively.Notable charge transfer occurs between the CO,C2H4,C2H2,and H2 molecules and the Pd—CdS surface,causing an overall shift of the density of states towards higher energy and an increase in the band gap.At 500 K,the desorption time of C2H4 from the Pd—CdS surface is 101 seconds;at 300 K,the desorption time of H2 from the Pd—CdS surface is 40.1 seconds.Pd doping can enhance the sensing capabilities of monolayer CdS toward C2H4 and H2,demonstrating its potential as a novel gas sensor operable at 300 K for H2 detection or 500 K for C2H4 monitoring.关键词
第一性原理计算/气体传感器/Pd掺杂CdS/单层CdS/传感原理/电力设备Key words
first-principle calculation/gas sensor/Pd-doped CdS/CdS monolayer/gas sensing mechanism/electrical power equipment引用本文复制引用
陈飞宇,周文,徐苓娜,陈伟根,周渠..钯掺杂硫化镉对油中特征气体的吸附及传感性能[J].高电压技术,2025,51(7):3245-3257,13.基金项目
国家自然科学基金(52077177).Project supported by National Natural Science Foundation of China(52077177). （52077177）
