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36 ta ish

Ish: Adsorption properties of N containing N2O, NH3, NO and NO2 gas molecules on the novel TiO2 doped MoSe2 heterostructure system: A systematic DFT study

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  2. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

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  3. Self-Consistent Equations Including Exchange and Correlation Effects

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  5. The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

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

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  7. Accurate description of van der Waals complexes by density functional theory including empirical corrections

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  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

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  9. Rh-doped MoSe<sub>2</sub> as a toxic gas scavenger: a first-principles study

    Hao Cui, Guozhi Zhang, Xiaoxing Zhang +1

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

    Shouxiao Ma, SU Liancun, Jin Li +2

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  11. Au (n = 1–4) cluster doped MoSe2 nanosheet as a promising gas-sensing material for C2H4 gas in oil-immersed transformer

    Yingang Gui, Jinzhi Shi, Lingna Xu +2

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  12. A DFT study of toxic gases (NH3, C2H2, NO) adsorption and detection on metal oxides (CuO, Ag2O, In2O3) modified MoTe2 monolayer

    Yujie Liu, Ming Ren, Bo Song +1

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  13. Humidity-sensing properties of chemically reduced graphene oxide/polymer nanocomposite film sensor based on layer-by-layer nano self-assembly

    Dongzhi Zhang, Jun Tong, Bokai Xia

    Maqola20142 iqtibos
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  14. 2D materials, synthesis, characterization and toxicity: A critical review

    Gowhar A. Naikoo, Fareeha Arshad, Muniba Almas +11

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  15. First-Principles Study of the Gas Sensing of Benzene and Formaldehyde by Ag<sub>2</sub>O- and CuO-Modified MoSe<sub>2</sub> Nanosheets

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    Maqola20222 iqtibos
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  16. Adsorption and gas sensing properties of Cun and Pdn (n = 1–3) clusters modified MoSe2 for lithium battery thermal runaway gases

    Hao Wu, Jie Fang, Shuai Yuan +3

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  17. Adsorption and sensing properties of TiO2-modified MoSe2 monolayer for SF6 decomposition components based on the first-principles

    Yunjian Wu, Jiawei Yuan, Xing Li +2

    Maqola20242 iqtibos
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  18. The adsorption of C containing organic molecules on the novel Pd5 and Pt5 cluster decorated WSe2 nanosheets: A DFT study

    Amirali Abbasi

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