"Catalytic role of graphitic nitrogen atoms in the CO oxidation reaction over N-containing graphene: a first-principles mechanistic evaluation"

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The catalytic role of graphitic nitrogen atoms of a series of nitrogen-doped graphene surfaces is explored for low-temperature oxidation of CO using periodic DFT calculations. Click to show full abstract

The catalytic role of graphitic nitrogen atoms of a series of nitrogen-doped graphene surfaces is explored for low-temperature oxidation of CO using periodic DFT calculations.

Keywords: nitrogen; role graphitic; catalytic role; graphitic nitrogen; nitrogen atoms

Journal Title: New Journal of Chemistry
Year Published: 2021

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