Mechanistic insight into the catalytic activities of metallic sites on nitrogen-doped graphene quantum dots for CO2 hydrogenation

The origin of selectivity and activity of the CO2 hydrogenation reaction on single-atom catalysts composed of three adjacent 3d transition metals (Fe, Co, and Ni) supported on N-doped graphene quantum dots were systematically investigated and compared using density functional theory (DFT) calculatio...

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Bibliographic Details
Main Authors:	Armin Mahmoudi, Siyavash Kazemi Movahed, Hossein Farrokhpour
Format:	Article
Language:	English
Published:	Elsevier 2024-12-01
Series:	Carbon Trends
Subjects:	CO2 hydrogenation Nitrogen doping Single-atom catalyst Density functional theory: Graphene quantum dot Synergistic activation
Online Access:	http://www.sciencedirect.com/science/article/pii/S266705692400110X
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Mechanistic insight into the catalytic activities of metallic sites on nitrogen-doped graphene quantum dots for CO2 hydrogenation

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