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39 ta ish

Ish: Enhanced sensing performance of Aun cluster modified BSe nanosheets (Aun-BSe) for trapping non-cyclic and cyclic N containing molecules: A comparative DFT study

  1. A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

    Stefan Grimme, Jens Antony, Stephan Ehrlich +1

    Maqola201076 iqtibos
    ABI

  2. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    MaqolaOchiq kirish196559 iqtibos
    ABI

  3. Sarlavhasiz

    Boshqa52 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

    MaqolaOchiq kirish200220 iqtibos
    ABI

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

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    MaqolaOchiq kirish199718 iqtibos
    ABI

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

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Maqola201811 iqtibos
    ABI

  7. 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

  8. A DFT study on adsorption of SF6 decomposition gases (H2S, SO2, SO2F2 and SOF2) on Sc-MoTe2 monolayer

    Zhaoyin Shi, Yu Zhang, Wen Zeng +1

    Maqola20235 iqtibos
    ABI

  9. 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

  10. DFT study of gas adsorption and sensing based on noble metal (Ag, Au and Pt) functionalized boron selenide nanosheets

    Yuanyuan Yu, Chunfeng Dai

    Maqola20203 iqtibos
    ABI

  11. Comparative Evaluation of Different MOF and Non‐MOF Porous Materials for SO<sub>2</sub> Adsorption and Separation Showing the Importance of Small Pore Diameters for Low‐Pressure Uptake

    Philipp Brandt, Alexander Nuhnen, Seçil Öztürk +3

    MaqolaOchiq kirish20212 iqtibos
    ABI

  12. 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

  13. 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

  14. Structural and electronic properties of monolayer group III monochalcogenides

    Salih Demirci, N. Avazlı, Engin Durgun +1

    Maqola20172 iqtibos
    ABI

  15. NO2 gas sensor based on hydrogenated graphene

    Sungjin Park, Minji Park, Sunghyun Kim +6

    Maqola20172 iqtibos
    ABI

  16. Theoretical study on adsorption of SF6 decomposition gas in GIS gas cell based on intrinsic and Ni-doped MoTe2 monolayer

    Miaolin Wang, Qu Zhou, Wen Zeng

    Maqola20222 iqtibos
    ABI

  17. Density functional theory study of Pd, Pt, and Au modified GeSe for adsorption and sensing of dissolved gases in transformer oil

    Xueru Wang, Yingang Gui, Zhuyu Ding +3

    Maqola20222 iqtibos
    ABI

  18. Review of thin-film resistor sensors: Exploring materials, classification, and preparation techniques

    Zhenmin Li, Zhenmin Li, Xun Ma +5

    Maqola20232 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