期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 119, 期 11, 页码 6421-6427出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.5b00263
关键词
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资金
- US National Science Foundation [CHE-1265945]
- Department of Energy [DE-SC0012273]
- University of Washington Student Technology and Royalty Research Fund
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1265945] Funding Source: National Science Foundation
- U.S. Department of Energy (DOE) [DE-SC0012273] Funding Source: U.S. Department of Energy (DOE)
Understanding dynamical characteristics of excited electronic states is crucial for rational design of functional nanomaterials. Using real-time time-dependent density functional theory, we present a fully quantum mechanical study on the transfer and decay of an exciton in an archetypal metal nanostructure. We introduce several approaches to analyze the dipole moments time evolution to resolve exciton transfer rates and the pure dephasing times. These approaches are applied to studies of exciton diffusion length in a silver nanowire array. Calculated rates of polarization-induced transfer exhibit neither Forsters sixth-power dependence on donoracceptor distance nor the perfect exponential separation dependence that typifies the Dexter transfer mechanism, suggesting that the nonperturbative, ab initio quantum dynamics captures intricacies of exciton transfer between quantized nanosystems that are beyond the reach of the canonical models of electronic energy transfer.
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