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过渡金属掺杂GaN对油中溶解特征气体的吸附性能

Adsorption Performance of Transition Metal-doped GaN on Dissolved Characteristic Gas in Oil
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摘要 为实现对变压器的故障监测,采用纳米气体传感器检测变压器油中溶解气体是一种有效的办法。基于第一性原理详细分析了变压器油中溶解特征气体(H_(2),CO)在本征GaN和过渡金属Ni掺杂GaN(Ni-GaN)上的吸附特性。结果表明,在本征GaN表面引入Ni原子有利于提高对H_(2)和CO的吸附效果,其中对于CO吸附效果提升最为明显,由-0.21 eV变为-2.95 eV。根据前沿分子轨道理论可以发现Ni-GaN对H_(2)具有理想的传感行为,而对于CO来说,较大的吸附能使得Ni-GaN更适用于做气体清除剂或一次性气体检测材料。本研究为基于GaN为材料的气敏传感器检测变压器油中溶解气体提供了理论指导。 To enable fault monitoring of transformers,the use of nano-gas sensors to detect dissolved gases in transformer oil is an effective approach.Based on first principles,the adsorption characteristics of dissolved characteristic gas(H_(2),CO)in transformer oil on intrinsic GaN and transition metal Ni-doped GaN(Ni-GaN)were analyzed.The results show that the introduction of Ni atoms on the intrinsic GaN surface is beneficial to improve the adsorption effect of H_(2)and CO,and the most obvious improvement for CO adsorption is from-0.21 eV to-2.95 eV.According to the frontier molecular orbital theory,it can be found that Ni-GaN has ideal sensing behavior for H_(2),while for CO,the large adsorption energy makes Ni-GaN more suitable as a gas scavenger or a disposable gas detection material.This study provides a theoretical guidance for the detection of dissolved gases in transformer oil by GaN-based gas-sensitive sensors.
作者 牛清林 向英瀚 刘斌 武一夫 刘哲 张辉 刘瑾娟 NIU Qinglin;XIANG Yinghan;LIU Bin;WU Yifu;LIU Zhe;ZHANG Hui;LIU Jinjuan(State Grid Inner Mongolia Eastern Electric Power Co.,Ltd.,Tongliao Power Supply Company,Tongliao 028000,China;Wuhan NARI Co.,Ltd.,State Grid Electric Power Research Institute,Wuhan 430074,China)
出处 《材料科学与工程学报》 CAS CSCD 北大核心 2023年第6期919-925,共7页 Journal of Materials Science and Engineering
关键词 第一性原理 油中溶解气体 单层GaN Ni-GaN First-principles Dissolved gas in oil GaN Ni-GaN
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