Effects of Mono-Vacancies of Oxygen and Manganese on the Properties of the MnO<sub>2</sub>/Graphene Heterostructure

Effects of Mono-Vacancies of Oxygen and Manganese on the Properties of the MnO<sub>2</sub>/Graphene Heterostructure

The effects of the monovacancies of oxygen (V<sub>O</sub>) and manganese (V<sub>Mn</sub>) on the structural and electronic properties of the 1T–MnO<sub>2</sub>/graphene heterostructure are investigated, within the framework of density functional theory (DFT). We f...

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Bibliographic Details
Main Authors: Juan David Morinson-Negrete, César Ortega-López, Miguel J. Espitia-Rico
Format: Article
Language:English
Published: MDPI AG 2022-04-01
Series:Materials
Subjects:
T–MnO<sub>2</sub>/graphene heterostructure
Bader charge
magnetic metal
DFT
Online Access:https://www.mdpi.com/1996-1944/15/8/2731

Internet

https://www.mdpi.com/1996-1944/15/8/2731

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