Dynamic Trap Formation and Elimination in Colloidal Quantum Dots

Handle URI:
http://hdl.handle.net/10754/598028
Title:
Dynamic Trap Formation and Elimination in Colloidal Quantum Dots
Authors:
Voznyy, O.; Thon, S. M.; Ip, A. H.; Sargent, E. H.
Abstract:
Using first-principles simulations on PbS and CdSe colloidal quantum dots, we find that surface defects form in response to electronic doping and charging of the nanoparticles. We show that electronic trap states in nanocrystals are dynamic entities, in contrast with the conventional picture wherein traps are viewed as stable electronic states that can be filled or emptied, but not created or destroyed. These traps arise from the formation or breaking of atomic dimers at the nanoparticle surface. The dimers' energy levels can reside within the bandgap, in which case a trap is formed. Fortunately, we are also able to identify a number of shallow-electron-affinity cations that stabilize the surface, working to counter dynamic trap formation and allowing for trap-free doping. © 2013 American Chemical Society.
Citation:
Voznyy O, Thon SM, Ip AH, Sargent EH (2013) Dynamic Trap Formation and Elimination in Colloidal Quantum Dots. The Journal of Physical Chemistry Letters 4: 987–992. Available: http://dx.doi.org/10.1021/jz400125r.
Publisher:
American Chemical Society (ACS)
Journal:
The Journal of Physical Chemistry Letters
KAUST Grant Number:
KUS-11-009-21
Issue Date:
21-Mar-2013
DOI:
10.1021/jz400125r
PubMed ID:
26291365
Type:
Article
ISSN:
1948-7185
Sponsors:
This publication is based in part on work supported by Award KUS-11-009-21, made by King Abdullah University of Science and Technology (KAUST), by the Ontario Research Fund Research Excellence Program, and by the Natural Sciences and Engineering Research Council (NSERC) of Canada. Computations were performed on the GPC supercomputer at the SciNet HPC Consortium.<SUP>44</SUP> SciNet is funded by the Canada Foundation for Innovation under the auspices of Compute Canada, the Government of Ontario, the Ontario Research Fund - Research Excellence, and the University of Toronto.
Appears in Collections:
Publications Acknowledging KAUST Support

Full metadata record

DC FieldValue Language
dc.contributor.authorVoznyy, O.en
dc.contributor.authorThon, S. M.en
dc.contributor.authorIp, A. H.en
dc.contributor.authorSargent, E. H.en
dc.date.accessioned2016-02-25T13:11:17Zen
dc.date.available2016-02-25T13:11:17Zen
dc.date.issued2013-03-21en
dc.identifier.citationVoznyy O, Thon SM, Ip AH, Sargent EH (2013) Dynamic Trap Formation and Elimination in Colloidal Quantum Dots. The Journal of Physical Chemistry Letters 4: 987–992. Available: http://dx.doi.org/10.1021/jz400125r.en
dc.identifier.issn1948-7185en
dc.identifier.pmid26291365en
dc.identifier.doi10.1021/jz400125ren
dc.identifier.urihttp://hdl.handle.net/10754/598028en
dc.description.abstractUsing first-principles simulations on PbS and CdSe colloidal quantum dots, we find that surface defects form in response to electronic doping and charging of the nanoparticles. We show that electronic trap states in nanocrystals are dynamic entities, in contrast with the conventional picture wherein traps are viewed as stable electronic states that can be filled or emptied, but not created or destroyed. These traps arise from the formation or breaking of atomic dimers at the nanoparticle surface. The dimers' energy levels can reside within the bandgap, in which case a trap is formed. Fortunately, we are also able to identify a number of shallow-electron-affinity cations that stabilize the surface, working to counter dynamic trap formation and allowing for trap-free doping. © 2013 American Chemical Society.en
dc.description.sponsorshipThis publication is based in part on work supported by Award KUS-11-009-21, made by King Abdullah University of Science and Technology (KAUST), by the Ontario Research Fund Research Excellence Program, and by the Natural Sciences and Engineering Research Council (NSERC) of Canada. Computations were performed on the GPC supercomputer at the SciNet HPC Consortium.<SUP>44</SUP> SciNet is funded by the Canada Foundation for Innovation under the auspices of Compute Canada, the Government of Ontario, the Ontario Research Fund - Research Excellence, and the University of Toronto.en
dc.publisherAmerican Chemical Society (ACS)en
dc.subjectcadmium selenideen
dc.subjectchargingen
dc.subjectdensity functional theory (DFT)en
dc.subjectdopingen
dc.subjectlead sulfideen
dc.subjectnanocrystalsen
dc.subjectsurface defectsen
dc.titleDynamic Trap Formation and Elimination in Colloidal Quantum Dotsen
dc.typeArticleen
dc.identifier.journalThe Journal of Physical Chemistry Lettersen
dc.contributor.institutionUniversity of Toronto, Toronto, Canadaen
kaust.grant.numberKUS-11-009-21en

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