Journal of Physical Chemistry C, volume 115, issue 32, pages 15927-15932
Mobile Surface Traps in CdSe Nanocrystals with Carboxylic Acid Ligands
1
Institute for Microstructural Sciences, National Research Council of Canada, Ottawa K1A 0R6, Canada
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Publication type: Journal Article
Publication date: 2011-07-25
Journal:
Journal of Physical Chemistry C
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor: 3.7
ISSN: 19327447, 19327455
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
General Energy
Abstract
We have performed ab initio calculations of electronic properties of the realistic Cd-rich CdSe nanocrystals with covalently bound carboxylic acid (X-type) ligands. Configurations both with and without surface traps can be prepared depending on the amount and geometry of the adsorbed ligands. We find that Cd and Se dangling bonds do not necessarily create surface traps, whereas traps originating from ligands can form near the top of the valence band. Some of the ligands are found to be mobile on the surface and this mobility is accompanied by a spectral diffusion of the associated trap energy levels. This provides the first atomistic example of the processes required to explain the emission wavelength and lifetime variations, and blinking of the nanocrystals.
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Citations by publishers
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American Chemical Society (ACS)
73 publications, 57.48%
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1 publication, 0.79%
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1 publication, 0.79%
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- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Voznyy O. Mobile Surface Traps in CdSe Nanocrystals with Carboxylic Acid Ligands // Journal of Physical Chemistry C. 2011. Vol. 115. No. 32. pp. 15927-15932.
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Voznyy O. Mobile Surface Traps in CdSe Nanocrystals with Carboxylic Acid Ligands // Journal of Physical Chemistry C. 2011. Vol. 115. No. 32. pp. 15927-15932.
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TY - JOUR
DO - 10.1021/jp205784g
UR - https://doi.org/10.1021/jp205784g
TI - Mobile Surface Traps in CdSe Nanocrystals with Carboxylic Acid Ligands
T2 - Journal of Physical Chemistry C
AU - Voznyy, Oleksandr
PY - 2011
DA - 2011/07/25 00:00:00
PB - American Chemical Society (ACS)
SP - 15927-15932
IS - 32
VL - 115
SN - 1932-7447
SN - 1932-7455
ER -
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@article{2011_Voznyy,
author = {Oleksandr Voznyy},
title = {Mobile Surface Traps in CdSe Nanocrystals with Carboxylic Acid Ligands},
journal = {Journal of Physical Chemistry C},
year = {2011},
volume = {115},
publisher = {American Chemical Society (ACS)},
month = {jul},
url = {https://doi.org/10.1021/jp205784g},
number = {32},
pages = {15927--15932},
doi = {10.1021/jp205784g}
}
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MLA
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Voznyy, Oleksandr. “Mobile Surface Traps in CdSe Nanocrystals with Carboxylic Acid Ligands.” Journal of Physical Chemistry C, vol. 115, no. 32, Jul. 2011, pp. 15927-15932. https://doi.org/10.1021/jp205784g.