Unraveling the Impact of Graphene Addition to Thermoelectric SrTiO(3) and La-Doped SrTiO(3) Materials: A Density Functional Theory Study

[Image: see text] We present a detailed theoretical investigation of the interaction of graphene with the SrO-terminated (001) surface of pristine and La-doped SrTiO(3). The adsorption of graphene is thermodynamically favorable with interfacial adsorption energies of −0.08 and −0.32 J/m(2) to pristi...

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Detalles Bibliográficos
Autores principales: Tse, Joshua, Aziz, Alex, Flitcroft, Joseph M., Skelton, Jonathan M., Gillie, Lisa J., Parker, Stephen C., Cooke, David J., Molinari, Marco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8414480/
https://www.ncbi.nlm.nih.gov/pubmed/34405998
http://dx.doi.org/10.1021/acsami.1c10865

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