Exploring charge density distribution and electronic properties of hybrid organic-germanium layers

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dc.creatorOliveira, Flavio Bento de
dc.creatorLima, Erika Nascimento
dc.creatorSilva, Mauricio Chagas da
dc.creatorRosa, Andreia Luisa da
dc.creatorFrauenheim, Thomas
dc.date.accessioned2023-11-16T13:33:07Z
dc.date.available2023-11-16T13:33:07Z
dc.date.issued2020
dc.description.abstractBand gap tuning and dielectric properties of small organic ligands adsorbed on bidimensional germanium monolayers (germanene) have been investigated using first-principles calculations. We show that the adsorption of these small groups retains the initially stable free-standing pristine buckled structure form. Charge density and chemical bonding analyses show that the ligands are chemisorbed on the germanium layers. Finally, we demonstrate that the dielectric properties of the bare and ligand adsorbed germanene have a large anisotropy. Our findings of a finite gap open a path for the rational design of nanostructures with possible applications in biosensors and solar cells.
dc.identifier.citationOLIVEIRA, Flávio Bento de et al. Exploring charge density distribution and electronic properties of hybrid organic-germanium layers. Physical Chemistry Chemical Physics, Londres, v. 22, p. 22055-22065, 2020. DOI: 10.1039/D0CP03024D. Disponível em: https://pubs.rsc.org/en/content/articlelanding/2020/cp/d0cp03024d. Acesso em: 11 set. 2023.
dc.identifier.doi10.1039/D0CP03024D
dc.identifier.issne- 1463-9084
dc.identifier.urihttps://pubs.rsc.org/en/content/articlelanding/2020/cp/d0cp03024d
dc.language.isoeng
dc.publisher.countryGra-bretanha
dc.rightsAcesso Restrito
dc.titleExploring charge density distribution and electronic properties of hybrid organic-germanium layers
dc.typeArtigo

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