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Works cited by this work

39 works

Work: Unveiling the mechanism of enhanced SO₃ sensing on P-doped T-graphene: The critical roles of donor-acceptor interactions and dopant hybridization

  1. Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions

    Martin Walker, Andrew J. A. Harvey, Ananya Sen +1

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

    Amirali Abbasi, Jaber Jahanbin Sardroodi

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  3. 6-31G* basis set for atoms K through Zn

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  4. Structural and Electronic Properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>T</mml:mi></mml:math>Graphene: A Two-Dimensional Carbon Allotrope with Tetrarings

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  5. Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules

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  6. Electronic properties of T graphene-like C–BN sheets: A density functional theory study

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  7. Graphene allotropes

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  8. Phosphorus-doped T-graphene nanocapsule toward O3 and SO2 gas sensing: a DFT and QTAIM analysis

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  9. Density functional theory study on structural and mechanical properties of graphene, T-graphene, and R-graphyne

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  10. Superconducting Single-Layer T-Graphene and Novel Synthesis Routes*

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  11. Proper basis set for quantum mechanical studies of potential energy surfaces of carbohydrates

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  12. Graphsene as a novel porous two-dimensional carbon material for enhanced oxygen reduction electrocatalysis

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  13. Application of carbon nanostructures toward SO<sub>2</sub> and SO<sub>3</sub> adsorption: a comparison between pristine graphene and N-doped graphene by DFT calculations

    Ali Shokuhi Rad, Mehri Esfahanian, Sina Maleki +1

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  14. Twin graphene: A novel two-dimensional semiconducting carbon allotrope

    Jin-Wu Jiang, Jiantao Leng, Jianxin Li +4

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  15. Comparative theoretical study of Al- and Ga-doped T-graphene for enhanced NO sensing

    Nagindar K. Singh, Abdulrahman T. Ahmed, Ф. К. Алимова +8

    ArticleGraphene research and applicationsSurface Science20251 citations
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