Open Access
Physical Review Letters, volume 92, issue 21, publication number 217401
Self-Healing of CdSe Nanocrystals: First-Principles Calculations
Publication type: Journal Article
Publication date: 2004-05-25
Journal:
Physical Review Letters
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 8.6
ISSN: 00319007, 10797114
General Physics and Astronomy
Abstract
Ab initio calculations of the structural, electronic, and optical properties of CdSe nanoparticles are presented. The atomic structures of the clusters are relaxed both in vacuum and in the presence of surfactant ligands. In both cases, we predict significant geometrical rearrangements of the nanoparticle surface while the wurtzite core is maintained. These reconstructions lead to the opening of an optical gap without the aid of passivating ligands, thus "self-healing" the surface electronic structure. Our calculations also predict the existence of a midgap state responsible for recently observed subband emission.
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Citations by publishers
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American Chemical Society (ACS)
71 publications, 34.13%
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Royal Society of Chemistry (RSC)
26 publications, 12.5%
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Springer Nature
23 publications, 11.06%
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American Physical Society (APS)
17 publications, 8.17%
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Elsevier
17 publications, 8.17%
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American Institute of Physics (AIP)
14 publications, 6.73%
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Wiley
13 publications, 6.25%
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IOP Publishing
6 publications, 2.88%
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Pleiades Publishing
3 publications, 1.44%
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Taylor & Francis
3 publications, 1.44%
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Proceedings of the National Academy of Sciences (PNAS)
2 publications, 0.96%
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Physical Society of Japan
1 publication, 0.48%
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Multidisciplinary Digital Publishing Institute (MDPI)
1 publication, 0.48%
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Cambridge University Press
1 publication, 0.48%
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Hindawi Limited
1 publication, 0.48%
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Annual Reviews
1 publication, 0.48%
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 0.48%
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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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Puzder A. et al. Self-Healing of CdSe Nanocrystals: First-Principles Calculations // Physical Review Letters. 2004. Vol. 92. No. 21. 217401
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Puzder A., Williamson A., Williamson A. R., Gygi F., Galli G. Self-Healing of CdSe Nanocrystals: First-Principles Calculations // Physical Review Letters. 2004. Vol. 92. No. 21. 217401
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TY - JOUR
DO - 10.1103/PhysRevLett.92.217401
UR - https://doi.org/10.1103/PhysRevLett.92.217401
TI - Self-Healing of CdSe Nanocrystals: First-Principles Calculations
T2 - Physical Review Letters
AU - Puzder, Aaron
AU - Williamson, A.J.
AU - Gygi, François
AU - Galli, Giulia
AU - Williamson, A. R.
PY - 2004
DA - 2004/05/25 00:00:00
PB - American Physical Society (APS)
IS - 21
VL - 92
SN - 0031-9007
SN - 1079-7114
ER -
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@article{2004_Puzder,
author = {Aaron Puzder and A.J. Williamson and François Gygi and Giulia Galli and A. R. Williamson},
title = {Self-Healing of CdSe Nanocrystals: First-Principles Calculations},
journal = {Physical Review Letters},
year = {2004},
volume = {92},
publisher = {American Physical Society (APS)},
month = {may},
url = {https://doi.org/10.1103/PhysRevLett.92.217401},
number = {21},
doi = {10.1103/PhysRevLett.92.217401}
}