Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 118, Issue 29, Pages 16035-16042Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp5046035
Keywords
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Funding
- U.S. Army Research Office [W911NF-12-1-0407]
- Volkswagen Foundation
- Robert A. Welch Foundation [C-1222]
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
- Division Of Mathematical Sciences
- Direct For Mathematical & Physical Scien [1066045] Funding Source: National Science Foundation
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Doped semiconductor nanocrystals represent a new type of quantum plasmonic material with optical resonances in the infrared. These nanocrystals are fundamentally different from the metal nanoparticles because the electron density in a semiconductor can be tuned over a wide interval. Using the DFT-based time-dependent formalism, we computed the absorption spectra of doped quantum dots as a function of the number of carriers in the dot. The dynamic properties of doped quantum dots undergo an interesting transition from the size-quantization regime to the classical regime of plasmon oscillations. We demonstrated this quantum-to-classical transition for both self-doped copper chalcogenide dots and impurity-doped II-VI nanocrystals. We also showed that the plasmon frequency and electron density in the dot depend on the type of doping, which can be bulk-like or surface-like. The results obtained in this study can be used to predict and describe optical properties of a variety of semiconductor nanocrystals with quantum plasmonic resonances.
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