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 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 1 Issue: 3
  • Publication Date: 2013
  • Doi Number: 10.1002/adom.201200037
  • Title of Journal : ADVANCED OPTICAL MATERIALS
  • Page Numbers: pp.239-243

Abstract

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.