| 1 |
Boron-embedded C3N nanosheets as efficient electrocatalysts for reduction of nitric oxide
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International Journal of Hydrogen Energy
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| 2 |
Electrochemical reduction of NO catalyzed by boron-doped C60 fullerene: a first-principles study
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RSC Advances
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| 3 |
A mechanistic first-principles study on N2 reduction reaction catalyzed by Ni4 supported defective graphene
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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| 4 |
NO Electrochemical Reduction over Si-N4 Embedded Graphene: A DFT Investigation
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APPLIED SURFACE SCIENCE
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| 5 |
بررسی نظری احیای گاز NO بر روی نانوقفسهای B12N12 و B11N12C
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شيمي و مهندسي شيمي ايران
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| 6 |
Electrochemical Reduction of N2 to NH3 Using a Co Atom Stabilized on Defective N-doped Graphene: A Computational Study
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CHEMISTRYSELECT
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| 7 |
Carbon-doped boron nitride nanosheet as a promising catalyst for N2O reduction by CO or SO2 molecule: A comparative DFT study
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APPLIED SURFACE SCIENCE
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| 8 |
Metal-Free Reduction of NO over a Fullerene-like Boron Nitride Nanocluster: A Mechanistic Study by DFT Calculations
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CHEMISTRYSELECT
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| 9 |
A catalyst-free achieving of N-doped carbon nanotubes: The healing of single-vacancy defects by NO molecule
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Chemical Physics Letters
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| 10 |
A DFT study on the healing of N-vacancy defects in boron nitride nanosheets and nanotubes by a methylene molecule
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International Journal of Quantum Chemistry
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| 11 |
Catalytic reduction of NO by CO molecule over Ni-doped graphene: A DFT investigation
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New Journal of Chemistry
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| 12 |
A DFT study on catalytic epoxidation of ethylene over Ti-doped graphene nanoflake in the presence of NO molecules
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Chemical Physics Letters
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| 13 |
Epoxidation of ethylene over Pt-, Pd- and Ni-doped graphene in the presence of N2O as an oxidant: A comparative DFT study
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New Journal of Chemistry
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| 14 |
N2O + SO2 reaction over Si- and C-doped boron nitride nanotubes: A comparative DFT study
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APPLIED SURFACE SCIENCE
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| 15 |
Healing of a carbon-vacancy defect in silicon carbide nanotubes by CO molecules: A DFT study
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Chemical Physics Letters
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| 16 |
Chalcogen-chalcogen interactions in furan-YHX and thiophene-YHX complexes (X=F, Cl, Br; Y=S, Se): An ab initio study
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BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
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| 17 |
The healing of B- or N-vacancy defective BNNTs by using CO molecule: a DFT study
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New Journal of Chemistry
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| 18 |
A DFT study on SO3 capture and activation over Si- or Al-doped graphene
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Chemical Physics Letters
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| 19 |
DFT calculations on the catalytic oxidation of CO over Si-doped (6,0) boron nitride nanotubes
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Structural Chemistry
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| 20 |
Si-doped graphene: A promising metal-free catalyst for oxidation of SO2
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Chemical Physics Letters
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| 21 |
Si-embedded boron-nitride nanotubes as an efficient and metal-free catalyst for NO oxidation
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Superlattices and Microstructures
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| 22 |
Sn-embedded graphene: An active catalyst for CO oxidation to CO2?
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PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
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