The electronic structure of capped and uncapped CdS nanoparticles

Date

2008-02-01

Author

Ercan, Ilke
Katırcıoğlu, Şenay

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The electronic structure of spherical CdmSn nanoparticles having zinc-blende symmetry and the diameters of up to around 3 nm has been studied by Hartree-Fock theory to find out the effect of the cluster size on the optical energy gap between HOMO and LUMO. The effect of encapsulation on the electronic structure has been also investigated for CdS4 and Cd13S4 clusters embedded in SiO2 matrix and sodalite cage by Hartree-Fock theory. It was found that the energy gap of CdS nanoparticles can be regulated by both the cluster size and the interface provided by the SiO2 matrix and sodalite cage. The energy gap between HOMO and LUMO has been found to be increased to upper boundary of the visible spectra when CdS, and Cd13S1 clusters have been embedded in either SiO2 matrix or sodalite cage.

Subject Keywords

General Materials Science, Bioengineering, General Chemistry, Condensed Matter Physics, Biomedical Engineering

URI

https://hdl.handle.net/11511/41572

Journal

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

DOI

https://doi.org/10.1166/jnn.2008.a219

Collections

Department of Physics, Article

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Citation Formats

I. Ercan and Ş. Katırcıoğlu, “The electronic structure of capped and uncapped CdS nanoparticles,” JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, pp. 645–649, 2008, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/41572.