ArticleFrontiers in chemistry2019
Bridging the Homogeneous-Heterogeneous Divide: Modeling Spin for Reactivity in Single Atom Catalysis.
Article in Frontiers in chemistry, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
What it found
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Who cites it
12 citing papers in PubMed.
- In Situ Amine Formation to Modulate MOF-Derived PdIn N-Doped Carbon Catalysts.Advanced materials (Deerfield Beach, Fla.) · 2026Article
- Identification of Ni-NJournal of the American Chemical Society · 2025Article
- The Nature and Stability of Transition Metal-Anchored Nitrogen-Doped Graphene Single-Atom Catalysts.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Modeling Heterogeneous Catalysis Using Quantum Computers: An Academic and Industry Perspective.Journal of chemical information and modeling · 2025Review
- Enhanced interfacial water dissociation on a hydrated iron porphyrin single-atom catalyst in graphene.Communications chemistry · 2023Article
- Article
- Density Functional Theory Study of the Oxygen Reduction Reaction Mechanism on Graphene Doped with Nitrogen and a Transition Metal.ACS omega · 2022Article
- Toward Multicomponent Single-Atom Catalysis for Efficient Electrochemical Energy Conversion.ACS materials Au · 2022Review
- Ultrafast plasma method allows rapid immobilization of monatomic copper on carboxyl-deficient g-CFrontiers in chemistry · 2022Article
- Machine learning to tame divergent density functional approximations: a new path to consensus materials design principles.Chemical science · 2021Article
- Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions.The journal of physical chemistry. A · 2020Article
- Stable Surfaces That Bind Too Tightly: Can Range-Separated Hybrids or DFT+U Improve Paradoxical Descriptions of Surface Chemistry?The journal of physical chemistry letters · 2019Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Single atom catalysts (SACs) are emergent catalytic materials that have the promise of merging the scalability of heterogeneous catalysts with the high activity and atom economy of homogeneous catalysts. Computational, first-principles modeling can provide essential insight into SAC mechanism and active site configuration, where the sub-nm-scale environment can challenge even the highest-resolution experimental spectroscopic techniques. Nevertheless, the very properties that make SACs attractive in catalysis, such as localized
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Registered trials
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