| 1 |
Pristine and Ti- or Al-doped B3CN4 nanosheets as efficient anodes for Mg-ion batteries: A DFT study
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Journal of Energy Storage
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| 2 |
Li, Na and K Storage Capacity of a Novel 2D Graphitic Carbon-Nitride Membrane, C9N4:A Computational Approach
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Chemical Physics Letters
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| 3 |
Si-doped C3N monolayers as efficient single-atom catalysts for reduction of N2O: a computational study
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MOLECULAR PHYSICS
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| 4 |
NO reduction over Al-embedded MoS2 monolayer: A first-principles study
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RSC Advances
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| 5 |
A comparative DFT study about surface reactivity and catalytic activity of Pd- and Ni-doped BN nanosheets: NO reduction by CO molecule
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Structural Chemistry
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| 6 |
A promising and new single-atom catalyst for CO oxidation: Si-embedded MoS2 monolayer
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JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
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| 7 |
An effective approach for tuning catalytic activity of C3N nanosheets: chemical-doping with the Si atom
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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| 8 |
C59N Heterofullerene: A Promising Catalyst for NO Conversion into N2O
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CHEMISTRYSELECT
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| 9 |
B-doped C3N monolayer: A robust catalyst for oxidation of carbon monoxide
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THEORETICAL CHEMISTRY ACCOUNTS
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| 10 |
Catalytic reduction of nitrous oxide over boron-doped C3N monolayers: A DFT study
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Chemical Physics Letters
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| 11 |
A DFT study on NO reduction to N2O using Al- and P-doped hexagonal boron nitride nanosheets
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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| 12 |
C59X Heterofullerenes (X = N, B, Si, P and S) as Catalysts for Reduction of N2O: A Comparative DFT Study
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CHEMISTRYSELECT
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| 13 |
CO catalytic oxidation over C59X heterofullerenes (X=B, Si, P, S): A DFT study
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Computational and Theoretical Chemistry
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| 14 |
CO Oxidation Catalyzed by a Single Ti Atom Supported on Divacancy Defective Graphene: A Dispersion-Corrected DFT Study
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CHEMISTRYSELECT
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| 15 |
Carbon-doped boronnitride fullerenes asefficient metal-freecatalysts for oxidation of SO2: A DFT study
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Structural Chemistry
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