Asosiy kontentga oʻtish
AkademIndex

Xizmatlar

← Ishga qaytish

Ushbu ish iqtibos qilgan ishlar

37 ta ish

Ish: 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

    Maqola1996196 iqtibos
    ABI

  2. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Maqola197675 iqtibos
    ABI

  3. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    MaqolaOchiq kirish196559 iqtibos
    ABI

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

    Stefan Grimme

    Maqola200658 iqtibos
    ABI

  5. Sarlavhasiz

    Boshqa52 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

    MaqolaOchiq kirish200220 iqtibos
    ABI

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

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Maqola201811 iqtibos
    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

    Maqola20179 iqtibos
    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

    Maqola20188 iqtibos
    ABI

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

    Kaixing Li, Tianyan Jiang, Hongli Tian +3

    Maqola20226 iqtibos
    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

    Maqola20215 iqtibos
    ABI

  12. 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

    Boshqa20205 iqtibos
    ABI

  13. 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

    Maqola20194 iqtibos
    ABI

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

    Meryem Derdare, Abdel‐Ghani Boudjahem

    Maqola20214 iqtibos
    ABI

  15. Gas sensor based on MoS2 monolayer

    Aliasghar Shokri, Nadia Salami

    Maqola20164 iqtibos
    ABI

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

    Shouxiao Ma, SU Liancun, Jin Li +2

    Maqola20193 iqtibos
    ABI

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

    Xianxian Gui, Qu Zhou, Shudi Peng +2

    Maqola20203 iqtibos
    ABI

  18. 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

    Maqola20243 iqtibos
    ABI

  19. 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

    Maqola20253 iqtibos
    ABI

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

    Amirali Abbasi

    Maqola20253 iqtibos
    ABI

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

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Maqola20162 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI