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38 ta ish

Ish: Enhancing the H2S and SO2 sensing capabilities of WS2 nanosheets by transition metal (Mo, Nb, Zr) adsorption: A DFT study

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

    Stefan Grimme

    Maqola200642 iqtibos
    ABI

  4. Sarlavhasiz

    Boshqa39 iqtibos
    ABI

  5. 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

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

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola199714 iqtibos
    ABI

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

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Maqola201810 iqtibos
    ABI

  8. 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

  9. 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

  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

    Maqola20194 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

    Maqola20214 iqtibos
    ABI

  12. Adsorption for SO2 gas molecules on B, N, P and Al doped MoS2: The DFT study

    Ruiyang Zhang, Da Fu, Jiaming Ni +2

    Maqola20183 iqtibos
    ABI

  13. 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

  14. Adsorption of gas molecule on Rh, Ru doped monolayer MoS2 for gas sensing applications: A DFT study

    Ruijuan Du, Wei Wu

    Maqola20213 iqtibos
    ABI

  15. Design of Dual-Modified MoS<sub>2</sub> with Nanoporous Ni and Graphene as Efficient Catalysts for the Hydrogen Evolution Reaction

    Li Xin Chen, Zhiwen Chen, Yu Wang +2

    Maqola20182 iqtibos
    ABI

  16. Two-Dimensional NbS<sub>2</sub> Gas Sensors for Selective and Reversible NO<sub>2</sub> Detection at Room Temperature

    Yeonhoo Kim, Ki Chang Kwon, Sungwoo Kang +8

    Maqola20192 iqtibos
    ABI

  17. Edge-exposed MoS2 nanospheres assembled with SnS2 nanosheet to boost NO2 gas sensing at room temperature

    Lujia Liu, Muhammad Ikram, Laifeng Ma +6

    Maqola20202 iqtibos
    ABI

  18. Growth Control of WS<sub>2</sub>: From 2D Layer by Layer to 3D Vertical Standing Nanowalls

    Yusuf Koçak, Emre Gür

    Maqola20202 iqtibos
    ABI

  19. 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

  20. Emerging van der Waals junctions based on TMDs materials for advanced gas sensors

    Wei Zheng, Xianghong Liu, Jiayue Xie +2

    Maqola20212 iqtibos
    ABI

  21. Y-decorated MoS2 monolayer for promising hydrogen storage: A DFT study

    Hongying Liu, Shulin Yang, Gu Lei +6

    Maqola20222 iqtibos
    ABI

  22. An active MoS2 with Pt-doping and sulfur vacancy for strengthen CO2 adsorption and fast Capture: A DFT approach

    Yue Du, Shaofen Zhao, Haodong Tang +2

    Maqola20222 iqtibos
    ABI

  23. A first-principles investigation on the adsorption of octanal and nonanal molecules with decorated monolayer WS2 as promising gas sensing platform

    Aref Aasi, Sahar Ebrahimi Bajgani, Balaji Panchapakesan

    Maqola20232 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI