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Computational data of molybdenum disulfide/graphene bilayer heterojunction under strain

The data presented in this paper refer to the research article “Dry and Hydrated Defective Molybdenum Disulfide/Graphene Bilayer Heterojunction Under Strain for Hydrogen Evolution from Water Splitting: A First-principle Study”. Here, we present the Density Functional Theory (DFT) data used to genera...

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Detalles Bibliográficos
Autores principales: Dimakis, Nicholas, Gupta, Sanju, Wadud, Razeen, Bhatti, Muhammad I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8956926/
https://www.ncbi.nlm.nih.gov/pubmed/35345841
http://dx.doi.org/10.1016/j.dib.2022.108054