CdTe Nanocrystals: Dynamic Effect of Solvation on the Optical Properties of a CdTe Nanocrystal (Advanced Optical Materials 3/2013)

MALCIOĞLU O. B., Raty J.

Advanced Optical Materials, vol.1, no.3, pp.238, 2013 (SCI-Expanded, Scopus) identifier

  • Publication Type: Article / Article
  • Volume: 1 Issue: 3
  • Publication Date: 2013
  • Doi Number: 10.1002/adom.201370022
  • Journal Name: Advanced Optical Materials
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.238
  • Keywords: CdTe quantum dots, Explicit solvent, Ligand passivation, Molecular dynamics, Time-dependent density functional theory
  • Middle East Technical University Affiliated: Yes

Abstract

Molecular dynamics simulations are used to establish a correlation between the time evolution of spectral features with various structural components of a ligand-stabilized CdTe quantum dot. The localization of charge oscillations due to light absorption is investigated by O. B. Malci{dotless}oǧlu et al. on page 239 before and after embedding the quantum dot in an explicit solvent environment. The image shows a snapshot from the solvated molecular dynamics trajectory. The response charge density of a quantum dot to two different frequencies of irradiation is depicted as colored glass bubbles. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.