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Иш: 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

    Мақола197660 иқтибос
    ABI

  2. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Мақола196544 иқтибос
    ABI

  3. Сарлавҳасиз

    Бошқа39 иқтибос
    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

    Мақола200217 иқтибос
    ABI

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

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Мақола199714 иқтибос
    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

    Мақола20187 иқтибос
    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

    Мақола20257 иқтибос
    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

    Мақола20256 иқтибос
    ABI

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

    Hao Cui, Guozhi Zhang, Xiaoxing Zhang +1

    Мақола20184 иқтибос
    ABI

  10. Boron Nitride Nanotubes

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

    Мақола19953 иқтибос
    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

    Мақола20203 иқтибос
    ABI

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

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

    Мақола20193 иқтибос
    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

    Мақола20243 иқтибос
    ABI

  14. C3N monolayers as promising candidates for NO2 sensors

    Dongwei Ma, Jing Zhang, Xinxin Li +5

    Мақола20182 иқтибос
    ABI

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

    Bohayra Mortazavi, Masoud Shahrokhi, Mostafa Raeisi +3

    Мақола20192 иқтибос
    ABI

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

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

    Мақола20172 иқтибос
    ABI

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

    Deepak Upadhyay, Basant Roondhe, Arun Pratap +1

    Мақола20192 иқтибос
    ABI

  18. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  19. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  20. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  21. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  22. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  23. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  24. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  25. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI