Article (Scientific journals)
Dynamic Effect of Solvation on the Optical Properties of a CdTe Nanocrystal
Malcioǧlu, O. B.; Raty, Jean-Yves
2013In Advanced Optical Materials, 1 (3), p. 239-243
Peer Reviewed verified by ORBi
 

Files


Full Text
Malcioglu Raty Adv Opt Materials.pdf
Publisher postprint (1.09 MB)
Request a copy

All documents in ORBi are protected by a user license.

Send to



Details



Keywords :
CdTe quantum dots; Explicit solvent; Ligand passivation; Molecular dynamics; Time-dependent density functional theory
Abstract :
[en] 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. Using TDDFT and ab-initio molecular dynamics, a correlation is established 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 before and after embedding the quantum dot in an explicit solvent environment. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Disciplines :
Physics
Author, co-author :
Malcioǧlu, O. B.;  Physics of Solids, Interfaces and Nanostructures, B5 Allée du 6 Août 17, Université de Liège, B-4000 Sart-Tilman, Liège, Belgium
Raty, Jean-Yves  ;  Université de Liège - ULiège > Département de physique > Physique de la matière condensée
Language :
English
Title :
Dynamic Effect of Solvation on the Optical Properties of a CdTe Nanocrystal
Publication date :
2013
Journal title :
Advanced Optical Materials
eISSN :
2195-1071
Publisher :
John Wiley & Sons, Hoboken, United States - New Jersey
Volume :
1
Issue :
3
Pages :
239-243
Peer reviewed :
Peer Reviewed verified by ORBi
Commentary :
cited By (since 1996)0 Scopus
Available on ORBi :
since 11 March 2014

Statistics


Number of views
35 (5 by ULiège)
Number of downloads
1 (1 by ULiège)

Scopus citations®
 
1
Scopus citations®
without self-citations
1
OpenCitations
 
1

Bibliography


Similar publications



Contact ORBi