Theoretical and experimental study on gas sensing properties of SnO2-graphene sensor for SF6 decomposition products

IF 2.1 4区 化学 Q3 CHEMISTRY, PHYSICAL Surface Science Pub Date : 2024-05-13 DOI:10.1016/j.susc.2024.122510
Jiarui Yang , Fan Li , Yanhan Zhu , Yihan Yang , Tingting Wang , Jiangqian Huang , Yingang Gui
{"title":"Theoretical and experimental study on gas sensing properties of SnO2-graphene sensor for SF6 decomposition products","authors":"Jiarui Yang ,&nbsp;Fan Li ,&nbsp;Yanhan Zhu ,&nbsp;Yihan Yang ,&nbsp;Tingting Wang ,&nbsp;Jiangqian Huang ,&nbsp;Yingang Gui","doi":"10.1016/j.susc.2024.122510","DOIUrl":null,"url":null,"abstract":"<div><p>Based on theoretical calculation and experimental detection, SnO<sub>2</sub>-modified graphene (SnO<sub>2</sub>-graphene) was proposed as a gas-sensing material for the SF<sub>6</sub> characteristic decomposition products (SO<sub>2</sub>, H<sub>2</sub>S, SOF<sub>2</sub>, SO<sub>2</sub>F<sub>2</sub>) in SF<sub>6</sub>-insulated equipment. Based on density functional theory calculations, the most stable modifying structure of single and double SnO<sub>2</sub> on the surface of graphene is optimized. The adsorption structure, adsorption energy, and charge transfer of four gas molecules on the surface of SnO<sub>2</sub>-graphene are calculated and analyzed. Then the total density of states (DOS) and partial density of states (PDOS) of the system before and after gas adsorption were compared and analyzed to explore the interaction mechanism between different gases and SnO<sub>2</sub>-graphene. In experimental study, graphene was prepared by the modified Hummers oxidation–reduction method in the laboratory. four concentration gradients of SnO<sub>2</sub> modified on the surface of graphene, and then specific gas sensing experiments were carried out with 10, 25, 50, 100 ppm of the SF<sub>6</sub> characteristic decomposition products. The gap between simulation and experiment is compared and analyzed, which lays a theoretical and experimental foundation for the development of new specific sensors.</p></div>","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"747 ","pages":"Article 122510"},"PeriodicalIF":2.1000,"publicationDate":"2024-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Surface Science","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S003960282400061X","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

Based on theoretical calculation and experimental detection, SnO2-modified graphene (SnO2-graphene) was proposed as a gas-sensing material for the SF6 characteristic decomposition products (SO2, H2S, SOF2, SO2F2) in SF6-insulated equipment. Based on density functional theory calculations, the most stable modifying structure of single and double SnO2 on the surface of graphene is optimized. The adsorption structure, adsorption energy, and charge transfer of four gas molecules on the surface of SnO2-graphene are calculated and analyzed. Then the total density of states (DOS) and partial density of states (PDOS) of the system before and after gas adsorption were compared and analyzed to explore the interaction mechanism between different gases and SnO2-graphene. In experimental study, graphene was prepared by the modified Hummers oxidation–reduction method in the laboratory. four concentration gradients of SnO2 modified on the surface of graphene, and then specific gas sensing experiments were carried out with 10, 25, 50, 100 ppm of the SF6 characteristic decomposition products. The gap between simulation and experiment is compared and analyzed, which lays a theoretical and experimental foundation for the development of new specific sensors.

Abstract Image

Abstract Image

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
二氧化锡-石墨烯传感器对 SF6 分解产物气体传感特性的理论与实验研究
基于理论计算和实验检测,提出了一种针对 SF 绝缘设备中 SF 特征分解产物(SO、HS、SOF、SOF)的气体传感材料--SnO 改性石墨烯(SnO-石墨烯)。基于密度泛函理论计算,优化了石墨烯表面单SnO和双SnO最稳定的修饰结构。计算并分析了四种气体分子在 SnO 石墨烯表面的吸附结构、吸附能和电荷转移。然后对比分析了气体吸附前后体系的总态密度(DOS)和部分态密度(PDOS),探讨了不同气体与氧化锡石墨烯之间的相互作用机理。在实验研究中,石墨烯是在实验室用改良的 Hummers 氧化还原法制备的,在石墨烯表面修饰了四种浓度梯度的 SnO,然后用 10、25、50、100 ppm 的 SF 特征分解产物进行了特定气体传感实验。对比分析了模拟和实验之间的差距,为开发新型特定传感器奠定了理论和实验基础。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
Surface Science
Surface Science 化学-物理:凝聚态物理
CiteScore
3.30
自引率
5.30%
发文量
137
审稿时长
25 days
期刊介绍: Surface Science is devoted to elucidating the fundamental aspects of chemistry and physics occurring at a wide range of surfaces and interfaces and to disseminating this knowledge fast. The journal welcomes a broad spectrum of topics, including but not limited to: • model systems (e.g. in Ultra High Vacuum) under well-controlled reactive conditions • nanoscale science and engineering, including manipulation of matter at the atomic/molecular scale and assembly phenomena • reactivity of surfaces as related to various applied areas including heterogeneous catalysis, chemistry at electrified interfaces, and semiconductors functionalization • phenomena at interfaces relevant to energy storage and conversion, and fuels production and utilization • surface reactivity for environmental protection and pollution remediation • interactions at surfaces of soft matter, including polymers and biomaterials. Both experimental and theoretical work, including modeling, is within the scope of the journal. Work published in Surface Science reaches a wide readership, from chemistry and physics to biology and materials science and engineering, providing an excellent forum for cross-fertilization of ideas and broad dissemination of scientific discoveries.
期刊最新文献
Electronic reconfiguration induced by dynamic hydroxyl decoration facilitates electrochemical nitrate reduction to ammonia Editorial Board Thermodynamic and kinetic analysis of the oxygen evolution reaction on TiO2 (100) and (101) surfaces: A DFT study Surface science study on catalytic surfaces under working conditions with soft-X-ray surface spectroscopy at the Photon Factory Time-resolved ambient pressure x-ray photoelectron spectroscopy: Advancing the operando study of ALD chemistry
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1