Journal article
Quantifying electron transit in donor-bridge-acceptor systems using probabilistic confidence
Journal of theoretical & computational chemistry, v 17(7), p1850046
01 Nov 2018
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
A probabilistic approach to characterizing transit times for quantum particles is generalized to a system of more than two spatial regions and applied to the transport of charge in donor-bridge-acceptor systems. The approach is based on applying conditional probability analysis to a discrete representation of the time-dependent probability density as generated by numerical solution of the time-dependent Schrodinger equation for an initially localized electron. To carry out this analysis, it is first necessary to cast the conditional probability analysis approach in matrix form. The results afford a quantification of the electron transit time and may provide a tool to gain insight into the mechanism of charge transport.
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Details
- Title
- Quantifying electron transit in donor-bridge-acceptor systems using probabilistic confidence
- Creators
- Evan Curtin - Drexel UniversityGloria Bazargan - Drexel UniversityKarl Sohlberg - Drexel University
- Publication Details
- Journal of theoretical & computational chemistry, v 17(7), p1850046
- Publisher
- World Scientific
- Number of pages
- 16
- Grant note
- DuPont
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000452013400005
- Scopus ID
- 2-s2.0-85056556506
- Other Identifier
- 991019168385304721
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InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Web of Science research areas
- Chemistry, Multidisciplinary