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Ish: Theoretical study of the Ptn (n = 1–4) nanoparticle functionalized BC3 nanosheets and their effects on the adsorption and sensing of SOx, CO2 and NO2 molecules

  1. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Maqola197675 iqtibos
    ABI

  2. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    MaqolaOchiq kirish196559 iqtibos
    ABI

  3. Sarlavhasiz

    Boshqa52 iqtibos
    ABI

  4. 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

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

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    MaqolaOchiq kirish199718 iqtibos
    ABI

  6. Pd-doped MoS2 monolayer: A promising candidate for DGA in transformer oil based on DFT method

    Hao Cui, Xiaoxing Zhang, Guozhi Zhang +1

    Maqola20188 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. Rh-doped MoSe<sub>2</sub> as a toxic gas scavenger: a first-principles study

    Hao Cui, Guozhi Zhang, Xiaoxing Zhang +1

    MaqolaOchiq kirish20185 iqtibos
    ABI

  10. Boron Nitride Nanotubes

    Nasreen G. Chopra, R.J. Luyken, K. Cherrey +4

    Maqola19954 iqtibos
    ABI

  11. Adsorption of SO2 and NO2 molecule on intrinsic and Pd-doped HfSe2 monolayer: A first-principles study

    Hao Cui, Pengfei Jia, Xiaoyan Peng

    Maqola20203 iqtibos
    ABI

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

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

    Maqola20193 iqtibos
    ABI

  13. First-principles design of noble metal (Rh and Pd) dispersed Janus WSTe monolayer for toxic gas sensing applications

    Hao Cui, Mingxin Ran, Xiaoyan Peng +1

    Maqola20243 iqtibos
    ABI

  14. Sarlavhasiz

    Boshqa3 iqtibos
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  15. Two-dimensional delafossite cobalt oxyhydroxide as a toxic gas sensor

    Deepak Upadhyay, Basant Roondhe, Arun Pratap +1

    Maqola20193 iqtibos
    ABI

  16. C3N monolayers as promising candidates for NO2 sensors

    Dongwei Ma, Jing Zhang, Xinxin Li +5

    Maqola20182 iqtibos
    ABI

  17. Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC3 and BC6N semiconductors

    Bohayra Mortazavi, Masoud Shahrokhi, Mostafa Raeisi +3

    Maqola20192 iqtibos
    ABI

  18. Sarlavhasiz

    Boshqa2 iqtibos
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  19. 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

  20. Sarlavhasiz

    Boshqa2 iqtibos
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  21. Sarlavhasiz

    Boshqa1 iqtibos
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  22. Sarlavhasiz

    Boshqa1 iqtibos
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  23. Sarlavhasiz

    Boshqa1 iqtibos
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  24. Sarlavhasiz

    Boshqa1 iqtibos
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  25. Sarlavhasiz

    Boshqa1 iqtibos
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