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Dynamic Effect of Solvation on the Optical Properties of a CdTe Nanocrystal
Date
2013-03-01
Author
Malcıoğlu, Osman Barış
Raty, Jean-Yves
Metadata
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This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
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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.
Subject Keywords
CDSE QUANTUM DOTS
,
GENERALIZED GRADIENT APPROXIMATION
,
AUGMENTED-WAVE METHOD
,
ULTRASOFT PSEUDOPOTENTIALS
,
LUMINESCENCE
,
LIGANDS
,
TRANSITION
URI
https://hdl.handle.net/11511/49049
Journal
ADVANCED OPTICAL MATERIALS
DOI
https://doi.org/10.1002/adom.201200037
Collections
Department of Physics, Article