Unique Reactivity of Transition Metal Atoms Embedded in Graphene to CO, NO, O(2) and O Adsorption: A First-Principles Investigation

Taking the adsorption of CO, NO, O(2) and O as probes, we investigated the electronic structure of transition metal atoms (TM, TM = Fe, Co, Ni, Cu and Zn) embedded in graphene by first-principles-based calculations. We showed that these TM atoms can be effectively stabilized on monovacancy defects o...

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Detalles Bibliográficos
Autores principales: Chu, Minmin, Liu, Xin, Sui, Yanhui, Luo, Jie, Meng, Changgong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6332463/
https://www.ncbi.nlm.nih.gov/pubmed/26516830
http://dx.doi.org/10.3390/molecules201019540

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6332463/
https://www.ncbi.nlm.nih.gov/pubmed/26516830
http://dx.doi.org/10.3390/molecules201019540

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