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Работы, на которые ссылается эта работа

Работ: 37

Работа: Adsorption behaviors of organic nitrobenzene (C6H5NO2) and pyridine (C5H5N) molecules on the Sc, Ti and V modified MoSTe nanosheets: A comparative first principles study

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Статья1996Цитирований: 153
    ABI

  2. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Статья1976Цитирований: 60
    ABI

  3. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Статья1965Цитирований: 44
    ABI

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

    Stefan Grimme

    Статья2006Цитирований: 42
    ABI

  5. Без названия

    ДругоеЦитирований: 39
    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

    Статья2002Цитирований: 17
    ABI

  7. Adsorption of O3, SO2 and SO3 gas molecules on MoS2 monolayers: A computational investigation

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Статья2018Цитирований: 10
    ABI

  8. Investigation of the adsorption of ozone molecules on TiO2/WSe2 nanocomposites by DFT computations: Applications to gas sensor devices

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Статья2017Цитирований: 9
    ABI

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

    Hao Cui, Xiaoxing Zhang, Guozhi Zhang +1

    Статья2018Цитирований: 7
    ABI

  10. Adsorption of CO and NO molecules on Al, P and Si embedded MoS2 nanosheets investigated by DFT calculations

    Amirali Abbasi, Amira Abdelrasoul, Jaber Jahanbin Sardroodi

    Статья2019Цитирований: 4
    ABI

  11. Single Ni atom doped WS2 monolayer as sensing substrate for dissolved gases in transformer oil: A first-principles study

    Dachang Chen, Yi Li, Song Xiao +3

    Статья2021Цитирований: 4
    ABI

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

    Kaixing Li, Tianyan Jiang, Hongli Tian +3

    Статья2022Цитирований: 4
    ABI

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

    Shouxiao Ma, SU Liancun, Jin Li +2

    Статья2019Цитирований: 3
    ABI

  14. 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

    Другое2020Цитирований: 3
    ABI

  15. Adsorption of the guanine molecule over the pristine, Nb-, and Au-doped boron nitride nanosheets: a DFT study

    Meryem Derdare, Abdel‐Ghani Boudjahem

    Статья2021Цитирований: 3
    ABI

  16. Effect of metal doping (M = Sc, V, Ti, Fe and Mn) on the sensing performance of the Si <sub>12</sub> C <sub>12</sub> nanocage towards the penicillamine drug molecule: a DFT study

    Meryem Derdare, Nedjoua Cheguib, Abdel‐Ghani Boudjahem +1

    Статья2024Цитирований: 3
    ABI

  17. Gas sensor based on MoS2 monolayer

    Aliasghar Shokri, Nadia Salami

    Статья2016Цитирований: 3
    ABI

  18. A density functional theory study on the adsorption of the β-lapachone anti-cancer drug onto the MB11N12 (M = au, Rh and Ru) nanoclusters as a drug delivery

    Mouhssin Boulbazine, Imane Djellala, Abdel‐Ghani Boudjahem

    Статья2025Цитирований: 3
    ABI

  19. Adsorption behavior of Rh-doped MoS2 monolayer towards SO2, SOF2, SO2F2 based on DFT study

    Xianxian Gui, Qu Zhou, Shudi Peng +2

    Статья2020Цитирований: 2
    ABI

  20. Theoretical study of the adsorption of NOx on TiO2/MoS2 nanocomposites: a comparison between undoped and N-doped nanocomposites

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Статья2016Цитирований: 2
    ABI

  21. DFT study of the electronic properties and gas sensing characteristics of the novel Ag2O modified BP/BSe van der Waals heterostructures

    Amirali Abbasi

    Статья2025Цитирований: 2
    ABI

  22. Без названия

    ДругоеЦитирований: 1
    ABI

  23. Без названия

    ДругоеЦитирований: 1
    ABI

  24. Без названия

    ДругоеЦитирований: 1
    ABI

  25. Без названия

    ДругоеЦитирований: 1
    ABI