CdTe Nanocrystals: Dynamic Effect of Solvation on the Optical Properties of a CdTe Nanocrystal (Advanced Optical Materials 3/2013)
Advanced Optical Materials, cilt.1, sa.3, ss.238, 2013 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 1 Sayı: 3
- Basım Tarihi: 2013
- Doi Numarası: 10.1002/adom.201370022
- Dergi Adı: Advanced Optical Materials
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.238
- Anahtar Kelimeler: CdTe quantum dots, Explicit solvent, Ligand passivation, Molecular dynamics, Time-dependent density functional theory
- Orta Doğu Teknik Üniversitesi Adresli: Evet
Özet
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.