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
  • [41] Adsorption of Urea over Transition Metal-Doped Graphene: A DFT Study
    Singh, Rajan
    Paily, Roy
    JOURNAL OF ELECTRONIC MATERIALS, 2019, 48 (11) : 6940 - 6948
  • [42] Transitional metal-doped aluminum fumarates for ultra-low heat driven adsorption cooling systems
    Rupam, Tahmid Hasan
    Palash, M. L.
    Islam, Md Amirul
    Saha, Bidyut Baran
    ENERGY, 2022, 238
  • [43] Adsorption of CO and H2S on pristine and metal (Ni, Pd, Pt, Cu, Ag, and Au)-mediated SnS monolayers: a first-principles study
    Lin, Long
    Hu, Chencheng
    Deng, Chao
    Xu, Yonghao
    Tao, Hualong
    Chen, Zehua
    Zhang, Zhanying
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 24 (33) : 19895 - 19910
  • [44] Adsorption behavior of 2, 3, 7, 8-tetrachlorodibenzo-p-dioxin on pristine and doped black phosphorene: A DFT study
    Zhang, Hong-ping
    Hou, Jia-liang
    Wang, Yaobin
    Tang, Ping-ping
    Zhang, Ya-ping
    Lin, Xiao-yan
    Liu, Changsheng
    Tang, Youhong
    CHEMOSPHERE, 2017, 185 : 509 - 517
  • [45] Comparative computational study of CO2 hydrogenation and dissociation on metal-doped Pd clusters
    Guo, Detang
    Liu, Jiangshan
    Zhao, Xiuyun
    Yang, Xu
    Chen, Xin
    SEPARATION AND PURIFICATION TECHNOLOGY, 2023, 313
  • [46] Adsorption of SO2, H2S, NH3, PH3, and AsH3 Gas Molecules on Pristine Armchair Phosphorene Nanoribbon: A First-Principles Study
    Sardarzadeh, Shima
    Karamdel, Javad
    Nayebi, Payman
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2020, 257 (09):
  • [47] Adsorption of H2S from Hydrocarbon Gas Using Doped Bentonite: A Molecular Simulation Study
    Lasich, Matthew
    ACS OMEGA, 2020, 5 (31): : 19877 - 19883
  • [48] H2S Stability of Metal-Organic Frameworks: A Computational Assessment
    Lyu, Pengbo
    Maurin, Guillaume
    ACS APPLIED MATERIALS & INTERFACES, 2021, 13 (03) : 4813 - 4822
  • [49] A DFT Study on the Adsorption of H2S and SO2 on Ni Doped MoS2 Monolayer
    Wei, Huangli
    Gui, Yingang
    Kang, Jian
    Wang, Weibo
    Tang, Chao
    NANOMATERIALS, 2018, 8 (09)
  • [50] H2S Stability of Metal-Organic Frameworks: A Computational Assessment
    Lyu, Pengbo
    Maurin, Guillaume
    ACS Applied Materials and Interfaces, 2021, 13 (03): : 4813 - 4822
12345