First-Principles Insight into Pd-Doped ZnO Monolayers as a Promising Scavenger for Dissolved Gas Analysis in Transformer Oil

Abstract

ZnO monolayers with desirable n-type semiconducting properties are full of potential for sensing applications. In this work, we investigate using first-principles theory the adsorption and sensing behaviors of Pd-doped ZnO (Pd-ZnO) monolayers with two typical dissolved gases, namely, H 2 and C 2 H 2 , to explore their sensing use for dissolved gas analysis in transformer oil. For Pd doping on the pristine ZnO monolayer, the T O site is identified as the most stable configuration with an E b of −1.44 eV. For the adsorption of H 2 and C 2 H 2 , chemisorption is determined given the large adsorption energy ( E ad ) and formation of new bonds. Analyses of the charge density difference and density of state provide evidence of the strong binding force of Pd–H and Pd–C bonds, while band structure analysis provides the sensing mechanism of the Pd-ZnO monolayer as a resistance-type sensor for H 2 and C 2 H 2 detection with high electrical responses. Also, analysis of the work function (WF) provides the possibility of selective detection of H 2 and C 2 H 2 using a Pd-ZnO monolayer-based field-effect transistor sensor given the opposite changing trend of the WF after their adsorption. Our work may broaden the application of ZnO-based gas sensors for application in the field of electrical engineering.

Rh-Doped ZnO Monolayer as a Potential Gas Sensor for Air Decomposed Species in a Ring Main Unit: A First-Principles Study

“…Based on our calculations, the lattice constant of the optimized ZnO monolayer is found to be 3.30 Å in this work. These findings are in good agreement with ref , indicating the good accuracy of our calculations. In terms of Rh-doping on the pristine ZnO surface, four possible sites are considered, traced as T Zn (on top of the Zn atom), H Zn–O (on top of the hexatomic Zn–O ring), T O (on top of the O atom), and B Zn–O (on the bridge of the Zn–O bond).…”

Cu-Doped MoSe2 Monolayer: A Novel Candidate for Dissolved Gas Analysis in Transformer Oil

“…17 The main gases in the oil as reported include H 2 , CO, CH 4 , C 2 H 2 , and C 2 H 4 , and using chemical gas sensors to realize their detection has been deemed as an effective and simple manner with rapid response and low cost. 18 In this paper, we propose a Cu-doped MoSe 2 (Cu-MoSe 2 ) monolayer for sensing three typical carbide gases of partial discharge in oil (namely, CO, C 2 H 2 , and C 2 H 4 ) using firstprinciples theory to explore its potential as a chemical gas sensor for application in the field of electrical engineering. Also, the adsorptions of other typical gases in transformer oil, including H 2 and CH 4 , are also studied for comparison and to highlight the main purpose of this work.…”

“…Thereby, dissolved gas analysis is proposed to evaluate the decomposing behavior of the oil and operation status of transformers . The main gases in the oil as reported include H 2 , CO, CH 4 , C 2 H 2 , and C 2 H 4 , and using chemical gas sensors to realize their detection has been deemed as an effective and simple manner with rapid response and low cost …”

First-Principle Insight into the Ru-Doped PtSe2 Monolayer for Detection of H2 and C2H2 in Transformer Oil

“…Electrical transformers are the most significant equipment in the power system for electricity transition and transmission, over 90% of which employs the mineral oil as the insulation medium to ensure their safe operation. , In the long run, the oil under some inevitable insulation defects such as partial discharge and partial overheat will decompose into several gas species including H 2 , CH 4 , C 2 H 2 , CO, and C 2 H 4 dissolving into the oil . Among these gas species, H 2 and C 2 H 2 account for the dominant content and are widely used as the typical gases to evaluate the operation status of the transformers . Therefore, realizing the sensitive detection of such two typical gases becomes the focus of attention in the field of electrical engineering to conduct the daily maintenance and to banish any latent breakdowns of the transformers as early as possible. − …”