<i>Ab initio</i> Study of Hydrogen Adsorption on Metal-Decorated Borophene-Graphene Bilayer

<i>Ab initio</i> Study of Hydrogen Adsorption on Metal-Decorated Borophene-Graphene Bilayer

We studied the hydrogen adsorption on the surface of a covalently bonded bilayer borophene-graphene heterostructure decorated with Pt, Ni, Ag, and Cu atoms. Due to its structure, the borophene-graphene bilayer combines borophene activity with the mechanical stability of graphene. Based on the densit...

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Bibliographic Details
Main Authors: Konstantin S. Grishakov, Konstantin P. Katin, Alexey I. Kochaev, Savas Kaya, Margarita A. Gimaldinova, Mikhail M. Maslov
Format: Article
Language:English
Published: MDPI AG 2021-04-01
Series:Energies
Subjects:
hydrogen evolution reaction
borophene
graphene
single-atom catalyst
density functional theory
Online Access:https://www.mdpi.com/1996-1073/14/9/2473

Internet

https://www.mdpi.com/1996-1073/14/9/2473

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