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36 ta ish

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

    Maqola197660 iqtibos
    ABI

  2. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Maqola196544 iqtibos
    ABI

  3. Sarlavhasiz

    Boshqa39 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

    Maqola200217 iqtibos
    ABI

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

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola199714 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

    Maqola20187 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

    Maqola20257 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

    Maqola20256 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

    Maqola20184 iqtibos
    ABI

  10. Boron Nitride Nanotubes

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

    Maqola19953 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. C3N monolayers as promising candidates for NO2 sensors

    Dongwei Ma, Jing Zhang, Xinxin Li +5

    Maqola20182 iqtibos
    ABI

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

    Bohayra Mortazavi, Masoud Shahrokhi, Mostafa Raeisi +3

    Maqola20192 iqtibos
    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

    Maqola20172 iqtibos
    ABI

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

    Deepak Upadhyay, Basant Roondhe, Arun Pratap +1

    Maqola20192 iqtibos
    ABI

  18. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  19. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  20. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI