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Ish: A Comparative DFT Study of the Adsorption of SF6 Decomposition Gas Species (SO2, SO2F2, and SOF4) on Si- and Al-Modified MoSTe Nanosheets: Application to Gas Sensors

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola1996153 iqtibos
    ABI

  2. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Maqola197660 iqtibos
    ABI

  3. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Maqola196544 iqtibos
    ABI

  4. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

    Stefan Grimme

    Maqola200642 iqtibos
    ABI

  5. Sarlavhasiz

    Boshqa39 iqtibos
    ABI

  6. 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

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

    Kaixing Li, Tianyan Jiang, Hongli Tian +3

    Maqola20224 iqtibos
    ABI

  8. A first-principles insight into Pd-doped MoSe2 monolayer: A toxic gas scavenger

    Shouxiao Ma, SU Liancun, Jin Li +2

    Maqola20193 iqtibos
    ABI

  9. 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

    Maqola20203 iqtibos
    ABI

  10. 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

    Boshqa20203 iqtibos
    ABI

  11. Rh-doped MoTe2 Monolayer as a Promising Candidate for Sensing and Scavenging SF6 Decomposed Species: a DFT Study

    Hongliang Zhu, Hao Cui, Dan He +2

    Maqola20202 iqtibos
    ABI

  12. 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

  13. The adsorption of CO and NO on the MoS2 monolayer doped with Au, Pt, Pd, or Ni: A first-principles study

    Dongwei Ma, Weiwei Ju, Tingxian Li +5

    Maqola20162 iqtibos
    ABI

  14. A DFT study of transition metal (Fe, Co, Ni, Cu, Ag, Au, Rh, Pd, Pt and Ir)-embedded monolayer MoS2 for gas adsorption

    Yuehua Fan, Jinyan Zhang, Yuzhi Qiu +3

    Maqola20172 iqtibos
    ABI

  15. Adsorption and gas-sensing performances of C2H2, C2H4, CO, H2 in transformer oil on Pt-doped MoTe2 monolayer: A DFT study

    Tianyan Jiang, Wentao Zhang, Tao Zhang +3

    Maqola20222 iqtibos
    ABI

  16. Adsorption of toxic gases by Janus MoSeTe monolayers doped with transition metals and surface defects: A first-principles study

    Chaowen Xue, Long Lin, Kun Xie +2

    Maqola20242 iqtibos
    ABI

  17. Sarlavhasiz

    Boshqa1 iqtibos
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  18. Sarlavhasiz

    Boshqa1 iqtibos
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  19. Sarlavhasiz

    Boshqa1 iqtibos
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  20. Sarlavhasiz

    Boshqa1 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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