Unique Reactivity of Transition Metal Atoms Embedded in Graphene to CO, NO, O2 and O Adsorption: A First-Principles Investigation
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Summary
It is shown that these TM atoms can be effectively stabilized on monovacancy defects on graphene by forming plausible interactions with the C atoms associated with dangling bonds, showing the crucial role of interfacial TM-C interactions on manipulating the reactivity of embedded TM atoms.
- Type
- article
- Published
- 2015-10-01
- Cited by
- 17
- References
- 58
- Access
- Open access
- OpenAlex
- https://openalex.org/W26516830
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:11704951
Keywords
Political science
References
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Cited by
- Al-doped graphene as an effective adsorber for some toxic derivatives of aromatic hydrocarbons
- Tunable electronic structure and spin splitting in single and multiple Fe-adsorbed g-C 2 N with different layers: A first-principles study
- Major Advances and Challenges in Heterogeneous Catalysis for Environmental Applications: A Review
- Mn–graphene single-atom catalyst evaluated for CO oxidation by computational screening
- Bridging the Homogeneous-Heterogeneous Divide: Modeling Spin for Reactivity in Single Atom Catalysis
- First-principles study of Ni adatom migration on graphene with vacancies
- On the adsorption of elemental mercury on single-atom TM (TM = V, Cr, Mn, Co) decorated graphene substrates
- Improved gas adsorption on functionalized aluminene surface: A first-principles study
- DFT study of the hydrogen adsorption and storage on Ni4 cluster embedded in multivacancy graphene
- Determination of Pairwise Interaction of Atoms from the Interaction of an Adatom with Graphene
- The Adsorption Behavior of Gas Molecules on Co/N Co–Doped Graphene
- The Investigation of Adsorption Behavior of Gas Molecules on FeN3-Doped Graphene
- Al-Decorated C2N Monolayer as a Potential Catalyst for NO Reduction with CO Molecules: A DFT Investigation
- Understanding Trends in the NO Oxidation Activity of Single‐Atom Catalysts
- Nitrogen-Doped Graphyne as a Promising Material for Sensing Volatile Organic Compounds in Human Breath.
- Selectively Adsorbed CO and O2 on Transition-Metal-Incorporated Porphyrin
- Carbon, oxygen, hydrogen, and carbon monoxide suction by graphene capillaries: A theoretical study
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