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

Malcioglu O. B., Raty J.

ADVANCED OPTICAL MATERIALS, cilt.1, sa.3, ss.239-243, 2013 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1 Sayı: 3
  • Basım Tarihi: 2013
  • Doi Numarası: 10.1002/adom.201200037
  • Dergi Adı: ADVANCED OPTICAL MATERIALS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.239-243
  • Orta Doğu Teknik Üniversitesi Adresli: Hayır

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.