Defect states and charge transport in quantum dot solids
Abstract
Defects at the surface of semiconductor quantum dots (QDs) give rise to electronic states within the gap, which are detrimental to charge transport properties of QD devices. We investigated charge transport in silicon quantum dots with deep and shallow defect levels, using ab initio calculations and constrained density functional theory. We found that shallow defects may be more detrimental to charge transport than deep ones, with associated transfer rates differing by up to 5 orders of magnitude for the small dots (1-2 nm) considered here. Hence, our results indicate that the common assumption, that the ability of defects to trap charges is determined by their position in the energy gap of the QD, is too simplistic, and our findings call for a reassessment of the role played by shallow defects in QD devices. Altogether, our results highlight the key importance of taking into account the atomistic structural properties of QD surfaces when investigating transport properties.
- Authors:
-
[1];
[1];
- Univ. of Chicago, Chicago, IL (United States)
- Argonne National Lab. (ANL), Lemont, IL (United States)
- Univ. of Chicago, Chicago, IL (United States); Argonne National Lab. (ANL), Lemont, IL (United States)
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Advanced Solar Photophysics (CASP)
- Sponsoring Org.:
- USDOE Office of Science (SC); National Institute of Standards and Technology (NIST), Center for Hierarchical Materials Design (CHiMaD)
- OSTI Identifier:
- 1352511
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Chemistry of Materials
- Additional Journal Information:
- Journal Volume: 29; Journal Issue: 3; Journal ID: ISSN 0897-4756
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; Charge Transfer; Constrained DFT; Defect; Nanocrystal; Nanostructure; Quantum dot; Transport
Citation Formats
Brawand, Nicholas P., Goldey, Matthew B., Vörös, Márton, and Galli, Giulia. Defect states and charge transport in quantum dot solids. United States: N. p., 2017.
Web. doi:10.1021/acs.chemmater.6b04631.
Brawand, Nicholas P., Goldey, Matthew B., Vörös, Márton, & Galli, Giulia. Defect states and charge transport in quantum dot solids. United States. https://doi.org/10.1021/acs.chemmater.6b04631
Brawand, Nicholas P., Goldey, Matthew B., Vörös, Márton, and Galli, Giulia. Mon .
"Defect states and charge transport in quantum dot solids". United States. https://doi.org/10.1021/acs.chemmater.6b04631. https://www.osti.gov/servlets/purl/1352511.
@article{osti_1352511,
title = {Defect states and charge transport in quantum dot solids},
author = {Brawand, Nicholas P. and Goldey, Matthew B. and Vörös, Márton and Galli, Giulia},
abstractNote = {Defects at the surface of semiconductor quantum dots (QDs) give rise to electronic states within the gap, which are detrimental to charge transport properties of QD devices. We investigated charge transport in silicon quantum dots with deep and shallow defect levels, using ab initio calculations and constrained density functional theory. We found that shallow defects may be more detrimental to charge transport than deep ones, with associated transfer rates differing by up to 5 orders of magnitude for the small dots (1-2 nm) considered here. Hence, our results indicate that the common assumption, that the ability of defects to trap charges is determined by their position in the energy gap of the QD, is too simplistic, and our findings call for a reassessment of the role played by shallow defects in QD devices. Altogether, our results highlight the key importance of taking into account the atomistic structural properties of QD surfaces when investigating transport properties.},
doi = {10.1021/acs.chemmater.6b04631},
journal = {Chemistry of Materials},
number = 3,
volume = 29,
place = {United States},
year = {Mon Jan 16 00:00:00 EST 2017},
month = {Mon Jan 16 00:00:00 EST 2017}
}
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