| 1 |
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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| 2 |
Al or Si decorated graphene-oxide: A promising material for capture and activation of ethylene and acetylene
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JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
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| 3 |
The selective adsorption of formaldehyde and methanol over Al- or Si-decorated graphene oxide: A DFT study
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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| 4 |
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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| 5 |
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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| 6 |
Catalytic hydrogenation of CO2 over Pt- and Ni-doped graphene: A comparative DFT study
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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| 7 |
A DFT study on the catalytic hydrogenation of CO2 to formic acid over Ti-doped graphene nanoflake
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Chemical Physics Letters
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