Hostname: page-component-745bb68f8f-mzp66 Total loading time: 0 Render date: 2025-01-11T09:02:15.461Z Has data issue: false hasContentIssue false
  • English
  • Français

Computational study of the optical properties of ZnS nanoparticles

Published online by Cambridge University Press:  18 March 2015

M. M. Sigalas
M. M. Sigalas*
Affiliation:
Department of Materials Science, University of Patras, Patra 26500, Greece
Get access

Abstract

Using the density functional theory (DFT) and time dependent DFT, within the generalized gradient approximation (GGA), the electronic and optical properties of stoichiometric (ZnS)n nanoparticles (NP) were calculated. The dependence of the gap on the size (n) of the nanoparticle will be presented. The effect of replacing S atoms with P, Se or Te atoms in the (ZnS)n nanoparticles and its influence in the gap will be also shown.

Keywords

electronic structurenanostructureoptical properties
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1738: Symposium V – Sustainable Solar-Energy Conversion Using Earth-Abundant Materials , 2015 , mrsf14-1738-v07-02
Copyright
Copyright © Materials Research Society 2015 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

Ruhle, S., Shalom, M., and Zaban, A., ChemPhysChem 11, 2290 (2010).CrossRefGoogle Scholar
Sigalas, M. M., Koukaras, E. N., and Zdetsis, A. D., RSC Advances 4, 14613 (2014) and references therein.CrossRefGoogle Scholar
Feigl, C., Russo, S. P., and Barnard, A. S., J. Mater. Chem. 20, 4971 (2010).CrossRefGoogle Scholar
Yan, X., Michael, E., Komarneni, S., Brownson, J. R., and Yan, Z., Ceramics International 39, 4757 (2013).CrossRefGoogle Scholar
Rossetti, R., Hull, R., Gibson, J. M., and Brus, L. E., J. Chem. Phys. 82, 552 (1985).CrossRefGoogle Scholar