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Dynamic Effect of Solvation on the Optical Properties of a CdTe Nanocrystal
Author(s) -
Malcıoğlu Osman Barış,
Raty JeanYves
Publication year - 2013
Publication title -
advanced optical materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.89
H-Index - 91
ISSN - 2195-1071
DOI - 10.1002/adom.201200037
Subject(s) - materials science , nanocrystal , quantum dot , ab initio , solvation , cadmium telluride photovoltaics , chemical physics , spectroscopy , ab initio quantum chemistry methods , molecular physics , nanotechnology , optoelectronics , molecule , chemistry , physics , quantum mechanics
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.