{"title":"NH3 预吸附对 Hf2CO2 MXene 上 SO2 吸附的影响","authors":"Rui-Zhou Zhang, Xiao-Hong Li , Hong-Ling Cui","doi":"10.1016/j.ssc.2024.115667","DOIUrl":null,"url":null,"abstract":"<div><p>Preadsorbing suitable gas molecule on the substrate can effectively improve the adsorption strength of the system. The adsorption properties of preadsorping NH<sub>3</sub> on SO<sub>2</sub>-adsorbed Hf<sub>2</sub>CO<sub>2</sub> monolayer are explored by first-principles calculation. All possible adsorption sites are considered. SO<sub>2</sub> molecule cannot be adsorbed by Hf<sub>2</sub>CO<sub>2</sub> monolayer, while preadsorbing NH<sub>3</sub> can increase the adsorption strength of SO<sub>2</sub>-adsorbed Hf<sub>2</sub>CO<sub>2</sub> monolayer. The adsorption system has the direct semiconductor character and is the reusable SO<sub>2</sub> gas sensor because of short recovery time and the appropriate adsorption strength. Preadsorbing NH<sub>3</sub> can decrease the carrier mobility in conduction band, but has little impact on the carrier mobility in valence band. The charge transfer of the co-adsorption system is also investigated.</p></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"392 ","pages":"Article 115667"},"PeriodicalIF":2.1000,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Effect of NH3 preadsorption on SO2 adsorption on Hf2CO2 MXene\",\"authors\":\"Rui-Zhou Zhang, Xiao-Hong Li , Hong-Ling Cui\",\"doi\":\"10.1016/j.ssc.2024.115667\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Preadsorbing suitable gas molecule on the substrate can effectively improve the adsorption strength of the system. The adsorption properties of preadsorping NH<sub>3</sub> on SO<sub>2</sub>-adsorbed Hf<sub>2</sub>CO<sub>2</sub> monolayer are explored by first-principles calculation. All possible adsorption sites are considered. SO<sub>2</sub> molecule cannot be adsorbed by Hf<sub>2</sub>CO<sub>2</sub> monolayer, while preadsorbing NH<sub>3</sub> can increase the adsorption strength of SO<sub>2</sub>-adsorbed Hf<sub>2</sub>CO<sub>2</sub> monolayer. The adsorption system has the direct semiconductor character and is the reusable SO<sub>2</sub> gas sensor because of short recovery time and the appropriate adsorption strength. Preadsorbing NH<sub>3</sub> can decrease the carrier mobility in conduction band, but has little impact on the carrier mobility in valence band. The charge transfer of the co-adsorption system is also investigated.</p></div>\",\"PeriodicalId\":430,\"journal\":{\"name\":\"Solid State Communications\",\"volume\":\"392 \",\"pages\":\"Article 115667\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2024-08-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Solid State Communications\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0038109824002448\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"PHYSICS, CONDENSED MATTER\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Solid State Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0038109824002448","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
Effect of NH3 preadsorption on SO2 adsorption on Hf2CO2 MXene
Preadsorbing suitable gas molecule on the substrate can effectively improve the adsorption strength of the system. The adsorption properties of preadsorping NH3 on SO2-adsorbed Hf2CO2 monolayer are explored by first-principles calculation. All possible adsorption sites are considered. SO2 molecule cannot be adsorbed by Hf2CO2 monolayer, while preadsorbing NH3 can increase the adsorption strength of SO2-adsorbed Hf2CO2 monolayer. The adsorption system has the direct semiconductor character and is the reusable SO2 gas sensor because of short recovery time and the appropriate adsorption strength. Preadsorbing NH3 can decrease the carrier mobility in conduction band, but has little impact on the carrier mobility in valence band. The charge transfer of the co-adsorption system is also investigated.
期刊介绍：
Solid State Communications is an international medium for the publication of short communications and original research articles on significant developments in condensed matter science, giving scientists immediate access to important, recently completed work. The journal publishes original experimental and theoretical research on the physical and chemical properties of solids and other condensed systems and also on their preparation. The submission of manuscripts reporting research on the basic physics of materials science and devices, as well as of state-of-the-art microstructures and nanostructures, is encouraged.
A coherent quantitative treatment emphasizing new physics is expected rather than a simple accumulation of experimental data. Consistent with these aims, the short communications should be kept concise and short, usually not longer than six printed pages. The number of figures and tables should also be kept to a minimum. Solid State Communications now also welcomes original research articles without length restrictions.
The Fast-Track section of Solid State Communications is the venue for very rapid publication of short communications on significant developments in condensed matter science. The goal is to offer the broad condensed matter community quick and immediate access to publish recently completed papers in research areas that are rapidly evolving and in which there are developments with great potential impact.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
