Microscopic theory of cation exchange in CdSe nanocrystals.
Phys Rev Lett
; 113(15): 156803, 2014 Oct 10.
Article
in En
| MEDLINE
| ID: mdl-25375732
ABSTRACT
Although poorly understood, cation-exchange reactions are increasingly used to dope or transform colloidal semiconductor nanocrystals (quantum dots). We use density-functional theory and kinetic Monte Carlo simulations to develop a microscopic theory that explains structural, optical, and electronic changes observed experimentally in Ag-cation-exchanged CdSe nanocrystals. We find that Coulomb interactions, both between ionized impurities and with the polarized nanocrystal surface, play a key role in cation exchange. Our theory also resolves several experimental puzzles related to photoluminescence and electrical behavior in CdSe nanocrystals doped with Ag.
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Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Phys Rev Lett
Year:
2014
Document type:
Article
Affiliation country:
Switzerland