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Иш: Pd and Pt transition metal decorated WS2 nanosheets as efficient gas sensors for SOx molecules: A comparative DFT study

  1. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Мақола197660 иқтибос
    ABI

  2. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Мақола196544 иқтибос
    ABI

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

    Stefan Grimme

    Мақола200642 иқтибос
    ABI

  4. Сарлавҳасиз

    Бошқа39 иқтибос
    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

    Мақола200217 иқтибос
    ABI

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

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Мақола199714 иқтибос
    ABI

  7. Single-layer MoS2 transistors

    Branimir Radisavljevic, Aleksandra Rađenović, Jacopo Brivio +2

    Мақола20118 иқтибос
    ABI

  8. Ultrasensitive photodetectors based on monolayer MoS2

    Oriol Lopez-Sanchez, Dominik Lembke, Metin Kayci +2

    Мақола20138 иқтибос
    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

    Мақола20187 иқтибос
    ABI

  10. A first-principles study of SOF2 and SO2F2 adsorption onto PdSe2-based monolayers: Favorable sensitivity and selectivity by doping single Cu or Rh atom

    Hao Cui, Jian Hu, Xiaoping Jiang +1

    Мақола20257 иқтибос
    ABI

  11. Noble metal (Pd, Pt)-functionalized WSe2 monolayer for adsorbing and sensing thermal runaway gases in LIBs: A first-principles investigation

    Hao Cui, Hailong Wu, Dan He +1

    Мақола20256 иқтибос
    ABI

  12. 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

    Мақола20214 иқтибос
    ABI

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

    Ruiyang Zhang, Da Fu, Jiaming Ni +2

    Мақола20183 иқтибос
    ABI

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

    Ruijuan Du, Wei Wu

    Мақола20213 иқтибос
    ABI

  15. Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study

    Yonghui Zhang, Ya-Bin Chen, Kai‐Ge Zhou +4

    Мақола20093 иқтибос
    ABI

  16. First-principles design of noble metal (Rh and Pd) dispersed Janus WSTe monolayer for toxic gas sensing applications

    Hao Cui, Mingxin Ran, Xiaoyan Peng +1

    Мақола20243 иқтибос
    ABI

  17. 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

    Мақола20182 иқтибос
    ABI

  18. 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

    Мақола20192 иқтибос
    ABI

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

    Lujia Liu, Muhammad Ikram, Laifeng Ma +6

    Мақола20202 иқтибос
    ABI

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

    Yusuf Koçak, Emre Gür

    Мақола20202 иқтибос
    ABI

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

    Wei Zheng, Xianghong Liu, Jiayue Xie +2

    Мақола20212 иқтибос
    ABI

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

    Hongying Liu, Shulin Yang, Gu Lei +6

    Мақола20222 иқтибос
    ABI

  23. 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

    Мақола20222 иқтибос
    ABI

  24. 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

    Мақола20242 иқтибос
    ABI

  25. Single-Layer MoS<sub>2</sub>Phototransistors

    Zongyou Yin, Hai Li, Hong Li +7

    Мақола20112 иқтибос
    ABI