The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Breaking the Phonon Bottleneck in PbSe and CdSe Quantum Dots: Time-Domain Density Functional Theory of Charge Carrier Relaxation
Abstract
Spatial confinement can create relaxation bottlenecks by mismatch between electronic and vibrational frequencies. This hypothesis motivated discovery of multiple excitons, which could greatly enhance the efficiency of quantum dot (QD) solar cells. Surprisingly, recent experiments showed no bottleneck. Our time-domain ab initio study of the electron-phonon dynamics rationalizes the fast relaxation in PbSe and CdSe QDs, which have substantially different electronic properties. Atom fluctuations and surface effects lift degeneracies and create dense distributions of electronic levels at all but the lowest energies, while confinement enhances the electron-phonon coupling. The analysis applies to nanomaterials in general, modifying the fundamental view on the electron-phonon interaction.
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Citations
Cites
Tunable Near-Infrared Optical Gain and Amplified Spontaneous Emission Using PbSe Nanocrystals
Schaller, R. D., Petruska, M. A., & Klimov, V. I. (2003) · The Journal of Physical Chemistry B · doi:10.1021/jp0311660 · Cited by 321
Cited by
Akimov, A. V., & Prezhdo, O. V. (2014) · Journal of Chemical Theory and Computation · doi:10.1021/ct400934c · Cited by 608
Self-citationZheng, Q., Chu, W., Zhao, C., Zhang, L., Guo, H., Wang, Y., Jiang, X., & Zhao, J. (2019) · WIREs Computational Molecular Science · doi:10.1002/wcms.1411 · Cited by 452
Kambhampati, P. (2011) · The Journal of Physical Chemistry C · doi:10.1021/jp2058673 · Cited by 391
The Evolution of Quantum Confinement in CsPbBr3 Perovskite Nanocrystals
Butkus, J., Vashishtha, P., Chen, K., Gallaher, J. K., Prasad, S. K. K., Metin, D. Z., Laufersky, G., Gaston, N., Halpert, J. E., & Hodgkiss, J. M. (2017) · Chemistry of Materials · doi:10.1021/acs.chemmater.7b00478 · Cited by 362
Metadata
- Authors
- Kilina, S. V., Kilin, D. S., & Prezhdo, O. V.
- Venue
- ACS Nano
- Publisher
- American Chemical Society (ACS)
- Published
- 2008-12-30
- Volume
- 3
- Issue
- 1
- Pages
- 93-99
- ISSN
- 1936-0851 (ISSN-L)
- 1936-086X
- OpenAlex
- W2047251061
- Cited by
- 258
- References
- 1
- FWCI
- 5.73
- Type
- journal article
- Language
- en
- Open access
- closed
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