Computational study of H2S adsorption on the pristine and transitional metal-doped phosphorene

被引：0
|
作者：
Masoumeh Molaei
Saeid Alipour
Ehsan Targholi
Razieh Farahati
S. Morteza Mousavi-Khoshdel
机构：
[1] Islamic Azad University,Young Researchers and Elite Club, Yadegar
[2] Iran University of Science and Technology,e
来源：
Journal of Molecular Modeling | 2021年 / 27卷
关键词：
Black phosphorene; Metal-doped phosphorene; Cohesive energy; H; S adsorption;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [31] DFT study of adsorption and dissociation behavior of H2S on Fe-doped graphene
    Zhang, Hong-ping
    Luo, Xue-gang
    Song, Hong-tao
    Lin, Xiao-yan
    Lu, Xiong
    Tang, Youhong
    APPLIED SURFACE SCIENCE, 2014, 317 : 511 - 516
  • [32] A computational study on the SO2 adsorption by the pristine, Al, and Si doped BN nanosheets
    Behmagham, E.
    Vessally, E.
    Massoumi, B.
    Hosseinian, A.
    Edjlali, L.
    SUPERLATTICES AND MICROSTRUCTURES, 2016, 100 : 350 - 357
  • [33] A theoretical study of H2S adsorption and dissociation mechanism on defected graphene doped with Pt
    Zhang W.-J.
    Hou M.-L.
    Zhou X.
    Huang H.
    Cen W.-L.
    Ranliao Huaxue Xuebao/Journal of Fuel Chemistry and Technology, 2022, 50 (09): : 1211 - 1220
  • [34] Unveiling the electrocatalytic potential of main-group metal-doped blue phosphorene for oxygen and hydrogen evolution reactions through a computational study
    Hu, Hao
    Yong, Yang-Chun
    Zhang, Peng
    Tang, Wei
    Xiao, Bei-Bei
    Mi, Jian-Li
    JOURNAL OF MATERIALS CHEMISTRY A, 2024, 12 (04) : 2267 - 2282
  • [35] Low Temperature H2S Removal with Metal-Doped Nanostructure ZnO Sorbents: Study of the Origin of Enhanced Reactivity in Cu-Containing Materials
    Skrzypski, Jonathan
    Bezverkhyy, Igor
    Heintz, Olivier
    Bellat, Jean-Pierre
    INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2011, 50 (09) : 5714 - 5722
  • [36] Theoretical study for exploring the adsorption behavior of aniline and phenol on pristine and Cu-doped phosphorene surface
    Ahangar, Roudabeh Mohsseni
    Farmanzadeh, Davood
    APPLIED SURFACE SCIENCE, 2023, 614
  • [37] Hydrogen adsorption on pristine, defected, and 3d-block transition metal-doped penta-graphene
    Enriquez, John Isaac G.
    Villagracia, Al Rey C.
    INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2016, 41 (28) : 12157 - 12166
  • [38] Mustard gas adsorption on the pristine and BN-doped graphynes: A computational study
    Vessally, Esmail
    Vali, Mehdi
    Hosseinian, Akram
    Heravi, Mohammad Reza Poor
    Bekhradnia, Ahmadreza
    PHYSICS LETTERS A, 2020, 384 (21)
  • [39] Adsorption of Urea over Transition Metal-Doped Graphene: A DFT Study
    Rajan Singh
    Roy Paily
    Journal of Electronic Materials, 2019, 48 : 6940 - 6948
  • [40] THE ADSORPTION OF H2S ON SOME TRANSITION-METAL EXCHANGED ZEOLITES - AN INFRARED STUDY
    HOWARD, J
    KADIR, ZA
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1985, 41 (06): : 825 - 831
12345