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


Malcioglu O. B. , Raty J.

ADVANCED OPTICAL MATERIALS, cilt.1, ss.239-243, 2013 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 1 Konu: 3
  • Basım Tarihi: 2013
  • Doi Numarası: 10.1002/adom.201200037
  • Dergi Adı: ADVANCED OPTICAL MATERIALS
  • Sayfa Sayıları: ss.239-243

Özet

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.