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.
引用
收藏
页数：6
相关论文
共 50 条
  • [1] Effect of preadsorbing gas molecules on the adsorption of SO2 molecule on Hf2CO2 MXene by first-principles study
    Li, Lu
    Yan, Hai-Tao
    Li, Xiao-Hong
    [J]. SURFACES AND INTERFACES, 2023, 36
  • [2] Effect of coexistence of vacancy and strain on the electronic properties of NH3 adsorption on the Hf2CO2 MXene from first-principles calculations
    Li, Shan-Shan
    Cui, Xing-Hao
    Li, Xiao-Hong
    Yan, Hai-Tao
    Zhang, Rui-Zhou
    Cui, Hong-Ling
    [J]. VACUUM, 2022, 196
  • [3] Effect of the biaxial strain on the electronic structure, quantum capacitance of NH3 adsorption on pristine Hf2CO2 MXene using first-principles calculations
    Li, Shan-Shan
    Li, Xiao-Hong
    Cui, Xing-Hao
    Zhang, Rui-Zhou
    Cui, Hong-Ling
    [J]. APPLIED SURFACE SCIENCE, 2022, 575
  • [4] Effect of the sulfur termination on the properties of Hf2CO2 MXene
    Ougherb, Chewki
    Ouahrani, Tarik
    Badawi, Michael
    Morales-Garcia, Angel
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 24 (12) : 7243 - 7252
  • [5] The electric moment of CO2, NH3, and SO2
    Zahn, CT
    [J]. PHYSICAL REVIEW, 1926, 27 (04): : 455 - 459
  • [6] A STUDY OF THE ADSORPTION OF NH3 AND SO2 ON LEAF SURFACES
    VANHOVE, LWA
    ADEMA, EH
    VREDENBERG, WJ
    PIETERS, GA
    [J]. ATMOSPHERIC ENVIRONMENT, 1989, 23 (07) : 1479 - 1486
  • [7] A study of the adsorption of NH3 and SO2 on leaf surfaces
    [J]. van Hove, L.W.A., 1600, (23):
  • [8] EFFECT OF NH3 GAS INTRODUCTION ON SO2 ADSORPTIVITY IN REPETITION OF SO2 ADSORPTION AND THERMAL REGENERATION OF ACTIVATED CARBON
    KOMURO, T
    ARASHI, N
    NOZAWA, S
    [J]. JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, 1992, 25 (02) : 215 - 220
  • [9] DOMINATING INFLUENCE OF NH3 ON THE OXIDATION OF AQUEOUS SO2 - THE COUPLING OF NH3 AND SO2 IN ATMOSPHERIC WATER
    BEHRA, P
    SIGG, L
    STUMM, W
    [J]. ATMOSPHERIC ENVIRONMENT, 1989, 23 (12) : 2691 - 2707
  • [10] Co-adsorption of NH3 and SO2 on quartz(0001): Formation of a stabilized complex
    Grecea, M. L.
    Gleeson, M. A.
    van Schaik, W.
    Kleyn, A. W.
    Bijkerk, F.
    [J]. CHEMICAL PHYSICS LETTERS, 2011, 511 (4-6) : 270 - 276
12345