ArticleChemistry (Weinheim an der Bergstrasse, Germany)2025
The Nature and Stability of Transition Metal-Anchored Nitrogen-Doped Graphene Single-Atom Catalysts.
Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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3 citing papers in PubMed.
- Cobalt Single Atoms in Hexagonal Boron Nitride Host for Efficient Electrochemical Nitrate Reduction.Small (Weinheim an der Bergstrasse, Germany) · 2026Article
- Tuning the metal-support interactions in transition metal-anchored heteroatom-doped graphene single-atom catalysts.Physical chemistry chemical physics : PCCP · 2026Review
- The Nature and Stability of Transition Metal-Anchored Nitrogen-Doped Graphene Single-Atom Catalysts.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
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2 authors.
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Abstract
Transition metal-anchored nitrogen-doped graphene single-atom catalysts (SACs) represent an emerging class of catalysts that combine the advantages of both homogeneous and heterogeneous catalysis. To prevent demetallation and ensure catalyst stability, sufficiently strong bonds between the transition metal and the support are essential. We have quantum chemically analyzed the trend in bonding interaction between period 4 transition metals (TM = Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) and the four-nitrogen-doped graphene support. We find that the metal-support interactions strengthen from Ti to Ni but weaken from Ni to Zn. Activation strain and Kohn-Sham molecular orbital (KS-MO) analyses reveal that this trend stems from changes in the interaction between the metal's 3d
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