Surface properties of CdS nanoparticles
With a view to contribute to the understanding the surface effects on optical properties process, and its hole in the electronic properties of the nanoparticles, CdS based nanoparticles are characterised by different experimental techniques and the experimental results compared to density functional...
| Main Authors: | Favero, P. P., Parise, Marcelo de Souza, Fernandez, J. L. R., Miotto, Ronei, Ferraz, Armando Corbani |
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| Format: | Artigo |
| Language: | English |
| Published: |
Sociedade Brasileira de Física
2017
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| Online Access: |
http://repositorio.unb.br/handle/10482/26726 https://dx.doi.org/10.1590/S0103-97332006000600062 |
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| Summary: |
With a view to contribute to the understanding the surface effects on optical properties process, and its hole in the electronic properties of the nanoparticles, CdS based nanoparticles are characterised by different experimental techniques and the experimental results compared to density functional theory calculations. Our results indicate that cubic CdS nanoparticles present a strong structural deformation, hexagonal reconstructed structures preserve their lattice behaviour. Both cubic and hexagonal CdS nanoparticles are S-terminated after relaxation, even when mildly Cd-rich nanoparticles are considered. A broad peak observed in our PL measurements is interpreted as an experimental evidence of the surface related peak observed around 1.8 eV in our calculated DOS for the hexagonal relaxed structure. |
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