Unique Reactivity of Transition Metal Atoms Embedded in Graphene to CO, NO, O2 and O Adsorption: A First-Principles Investigation

Unique Reactivity of Transition Metal Atoms Embedded in Graphene to CO, NO, O2 and O Adsorption: A First-Principles Investigation

Taking the adsorption of CO, NO, O2 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 on...

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Bibliographic Details
Main Authors: Minmin Chu, Xin Liu, Yanhui Sui, Jie Luo, Changgong Meng
Format: Article
Language:English
Published: MDPI AG 2015-10-01
Series:Molecules
Subjects:
graphene
defects
transition metal
single atom catalysis
CO oxidation
Online Access:http://www.mdpi.com/1420-3049/20/10/19540

Internet

http://www.mdpi.com/1420-3049/20/10/19540

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