I want to compare the the quantum dots（QDs） fluorescence dynamic properties between the core and core-shell QDs.
And I have read some literature all about the quantum dots fluorescence mechanism and it seems like there are many fluorescence mechanism contribute to its dynamic properties.（All of the literature are from different groups, like the attached link）
But there is a little difference between these literature which discussion about its dynamic properties（like the attached graph, the surface state emission）, then I can not really understand which is really more suitable for me.
Can anyone give me any recommendation or other literature that I can follow to solve my problem?
http://pubs.acs.org/doi/abs/10.1021/jp003088b
http://pubs.acs.org/doi/abs/10.1021/jp035598m
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3246601/
Dear Chang-wei,
Fluorescence mechanism can have several explanations according to the system you are dealing with, but these explanations must be in full agreement. For example, you can explain that on the basis of Single Frontier Molecular Orbitals like Natural Transition Orbital analysis (hole-electron pairs) as well as with Franck-Condon factor analysis, both of them give you the same explaniation but in different ways. I'm in particular agreement with the third picture you attached. In addition, you can find more comprehensive papers on the literature (see the attachement).
Best,
Arturo
Mr. Ye,
What you have understood under recommend references towards Fs computations of QDs?! Generally, papers devoted to Fs spectra prediction are rare. Furthermore the computational details/steps, generally, are not provided due to the fact that the publications have not educational purpose; monographs do not deal with technical notes for computations, details about the methods used (or their combination), computational steps and s.o., which depend on the different quantum chemical program/s; while the textbooks provide simple as phenomenology examples which cannot serve your needs for a comprehensive scientific study, furthermore where could have unexpected results towards well known/clarified physical phenomena from the textbooks.
So, you need only to use suitable balancing method/s between accuracy-computational time according the molecular structure of your QDs and to obtain the energies of the states within the framework of dynamic computations. Particularly, if you use Gaussian, for example (www.gaussian.com), the picture shown as attachment in your posting can be obtain very easy. The information is provided direct as shown, for example as fragment of a file:
ADMP step X
...........................................
Alpha HOMO = -0.079307 Alpha LUMO = 0.271317
Instantaneous HOMO-LUMO Gap = 0.350624
Frobenius norm of [F,P] = 2.989012D-02
I= 1 X= xxxxx Y= xxxx Z= xxxx
.................................
Summary information for step X
Time (fs) 0.200000
EKinC = 0.0945245; EKinPA = 0.0000655; EKinPB = 0.0000655
EKin = 0.0946555; EPot = -74.9300853; ETot = -74.8354298
ETot-EKinP = -74.8355609
Adiabaticity Index = 2.5616D-04
.......................................
Angular momentum
J (Quantum Number) = xxxxxxxxxxxxxxxxxxxxxx
Total energy xxxxxxxxxxxxxxx Delta-E xxxxxxxxxxxxxxxx A.U.
Total angular momentum xxxxxxxxxxxxxx Delta-A xxxxxxxxxxxxxx h-bar
As far as the Fs intensity depends on the population to given state, then you need information about the DOS of your ensemble of interacting QDs as well.
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