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Dynamics of charge transfer: Rate processes formulated with nonequilibrium Green’s functions
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10.1063/1.2735606
/content/aip/journal/jcp/126/16/10.1063/1.2735606
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/16/10.1063/1.2735606
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The model system used in current/rate calculations is shown. The initial/final reservoirs correspond to left/right electrodes; however, note that the initial state is discrete, representing a well-defined reactant state.

Image of FIG. 2.
FIG. 2.

Marcus parabolas showing the polaron shift to are shown. The exoergicity can be related to an applied voltage with a specific potential profile, as discussed in the text and in Fig. 3.

Image of FIG. 3.
FIG. 3.

Reaction exoergicity in electron transfer is equivalent to an applied voltage with profile given by the dotted line.

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/content/aip/journal/jcp/126/16/10.1063/1.2735606
2007-04-27
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Dynamics of charge transfer: Rate processes formulated with nonequilibrium Green’s functions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/16/10.1063/1.2735606
10.1063/1.2735606
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