Adsorption and Sensing Properties of Dissolved Gas in Oil on Cr-Doped InN Monolayer: A Density Functional Theory Study

Guochao Qian,Qu Zhou,Jin Hu,Shan Wang,Weiju Dai

doi:10.3390/chemosensors10010030

Guochao Qian, Qu Zhou + Show 3 more

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https://doi.org/10.3390/chemosensors10010030

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Journal: Chemosensors	Publication Date: Jan 12, 2022
Citations: 6	License type: CC BY 4.0

Affiliation: Southwest University, Chongqing University

Abstract

Dissolved gas analysis (DGA) is recognized as one of the most reliable methods in transformer fault diagnosis technology. In this paper, three characteristic gases of transformer oil (CO, C2H4, and CH4) were used in conjunction with a Cr-decorated InN monolayer according to first principle calculations. The adsorption performance of Cr–InN for these three gases were studied from several perspectives such as adsorption structures, adsorption energy, electron density, density of state, and band gap structure. The results revealed that the Cr–InN monolayer had good adsorption performance with CO and C2H4, while the band gap of the monolayer slightly changed after the adsorption of CO and C2H4. Additionally, the adsorption property of the Cr–InN monolayer on CH4 was acceptable and a significant response was simultaneously generated. This paper provides the first insights regarding the possibility of Cr-doped InN monolayers for the detection of gases dissolved in oil.

Highlights

C2 H4, and CH4 ) were used in conjunction with a Cr-decorated Indium nitride (InN) monolayer according to first principle calculations
Dissolved gas analysis (DGA) is considered to be a reliable method for monitoring the operating status of transformers; the prevailing approach is to determine the content of dissolved gases in the insulating oil through gas chromatography to find out whether there are potential overheating and discharge faults in the running transformer equipment [5,6]
Double numerical polarization (DNP) was adopted as the basis function set of linear combination of atomic orbitals (LCAO)

Summary

Introduction

C2 H4 , and CH4 ) were used in conjunction with a Cr-decorated InN monolayer according to first principle calculations. The adsorption performance of Cr–InN for these three gases were studied from several perspectives such as adsorption structures, adsorption energy, electron density, density of state, and band gap structure. Dissolved gas analysis (DGA) is considered to be a reliable method for monitoring the operating status of transformers; the prevailing approach is to determine the content of dissolved gases in the insulating oil through gas chromatography to find out whether there are potential overheating and discharge faults in the running transformer equipment [5,6]. Indium nitride (InN) is a new type III-nitride group compound material. It has excellent electronic transport performance and a narrow energy band, and has received extensive attention in the field of new optoelectronic device manufacturing.

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