Effect of NH3 preadsorption on SO2 adsorption on Hf2CO2 MXene

被引：0
|
作者：
Zhang, Rui-Zhou [1 ]
Li, Xiao-Hong [1 ,2 ]
Cui, Hong-Ling [1 ,2 ]
机构：
[1] Henan Univ Sci & Technol, Sch Phys & Engn, Luoyang 471023, Peoples R China
[2] Henan Univ Sci & Technol, Sch Phys & Engn, 263 Kaiyuan Ave, Luoyang 471023, Peoples R China
来源：
SOLID STATE COMMUNICATIONS | 2024年 / 392卷
关键词：
SO; 2; molecule; Hf; CO; monolayer; Preadsorption; NH; 3; Recovery time; Adsorption properties; CO2; CAPTURE; STRAIN; OXIDE; AIR;
D O I：
10.1016/j.ssc.2024.115667
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
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 firstprinciples 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 coadsorption system is also investigated.
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页数：6
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