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38 ta ish

Ish: DFT-D3 investigation of the adsorption of methane and haloalkanes (CH2Cl2, CHCl3) on the Osmium and Ruthenium cluster doped BSe nanosheets: Implications for promising sensors

  1. A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

    Stefan Grimme, Jens Antony, Stephan Ehrlich +1

    Maqola201076 iqtibos
    ABI

  2. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Maqola197675 iqtibos
    ABI

  3. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    MaqolaOchiq kirish196559 iqtibos
    ABI

  4. Sarlavhasiz

    Boshqa52 iqtibos
    ABI

  5. The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

    José M. Soler, Emilio Artacho, Julian D. Gale +4

    MaqolaOchiq kirish200220 iqtibos
    ABI

  6. Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    MaqolaOchiq kirish199718 iqtibos
    ABI

  7. A first-principles study of SOF2 and SO2F2 adsorption onto PdSe2-based monolayers: Favorable sensitivity and selectivity by doping single Cu or Rh atom

    Hao Cui, Jian Hu, Xiaoping Jiang +1

    Maqola20258 iqtibos
    ABI

  8. Noble metal (Pd, Pt)-functionalized WSe2 monolayer for adsorbing and sensing thermal runaway gases in LIBs: A first-principles investigation

    Hao Cui, Hailong Wu, Dan He +1

    Maqola20258 iqtibos
    ABI

  9. Adsorption of SF6 decomposition gases on Ag2O(1,2)-WSe2 monolayers: A DFT study

    Kaixing Li, Tianyan Jiang, Hongli Tian +3

    Maqola20226 iqtibos
    ABI

  10. Au (n = 1–4) cluster doped MoSe2 nanosheet as a promising gas-sensing material for C2H4 gas in oil-immersed transformer

    Yingang Gui, Jinzhi Shi, Lingna Xu +2

    Maqola20205 iqtibos
    ABI

  11. Corrigendum to “SO2 gas adsorption on the transition metal (Pd, Ag, Au and Pt)-doped monolayer MoSe2: A first-principles study” [Chem. Phys. Lett. 733 (2019) 1–6]

    Jian Ren, Yanyan Xue, Lin Wang

    Boshqa20205 iqtibos
    ABI

  12. Tuning Gas Sensing Properties through Metal-Nanocluster Functionalization of 3D SnO<sub>2</sub> Nanotube Arrays for Selective Gas Detection

    Jia Yan, Yue Kang, Weihao Fang +2

    Maqola20255 iqtibos
    ABI

  13. Nanotube Molecular Wires as Chemical Sensors

    Jing Kong, Nathan R. Franklin, Chongwu Zhou +4

    Maqola20003 iqtibos
    ABI

  14. A DFT study of toxic gases (NH3, C2H2, NO) adsorption and detection on metal oxides (CuO, Ag2O, In2O3) modified MoTe2 monolayer

    Yujie Liu, Ming Ren, Bo Song +1

    Maqola20233 iqtibos
    ABI

  15. Two-dimensional metal carbide comrade for tracing CO and CO2

    Basant Roondhe, Khushbu P. Patel, Prafulla K. Jha

    Maqola20193 iqtibos
    ABI

  16. Adsorption and gas-sensing properties of Aun (n = 1–3) cluster doped MoTe2 for NH3, NO2, and SO2 gas molecules

    Zhicheng Liu, Yingang Gui, Lingna Xu +1

    Maqola20223 iqtibos
    ABI

  17. Two-dimensional delafossite cobalt oxyhydroxide as a toxic gas sensor

    Deepak Upadhyay, Basant Roondhe, Arun Pratap +1

    Maqola20193 iqtibos
    ABI

  18. Sustainable High Thermal Conductivity Composites from Biomass: Bio-Based Polyimide/Microencapsulated CNTs for Green Thermal Management

    Chenyi Yang, Yongcun Zhou, Xueqin Wang +2

    Maqola20263 iqtibos
    ABI

  19. Fabrication of Flexible MoS<sub>2</sub> Thin‐Film Transistor Arrays for Practical Gas‐Sensing Applications

    Qiyuan He, Zhiyuan Zeng, Zongyou Yin +4

    Maqola20122 iqtibos
    ABI

  20. Doping against the Native Propensity of MoS<sub>2</sub>: Degenerate Hole Doping by Cation Substitution

    Joonki Suh, Tae‐Eon Park, Der-Yuh Lin +11

    Maqola20142 iqtibos
    ABI

  21. Hydrogen and methane storage and release by MoS<sub>2</sub> nanotubes for energy storage

    Xiuxiu Wang, Baoyu Li, David R. Bell +2

    Maqola20172 iqtibos
    ABI

  22. Sodium-intercalated bulk graphdiyne as an anode material for rechargeable batteries

    Amir H. Farokh Niaei, Tanveer Hussain, Marlies Hankel +1

    Maqola20172 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa2 iqtibos
    ABI