Dynamic Effect of Solvation on the Optical Properties of a CdTe Nanocrystal

Malcioglu O. B., Raty J.

ADVANCED OPTICAL MATERIALS, vol.1, no.3, pp.239-243, 2013 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 1 Issue: 3
  • Publication Date: 2013
  • Doi Number: 10.1002/adom.201200037
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.239-243
  • Middle East Technical University Affiliated: No


Changes in the optical response of a CdTe quantum dot (QD) due to dynamic and surface effects are investigated using ab initio methods. The model successfully captures experimentally reported non-linear trends in the optical spectra. The combination of ab initio molecular dynamics, time-dependent DFT, and optical spectroscopy provides a very effective method to investigate various dynamic effects on very small QDs, and to explore generalizable trends for similar structures.