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- W2097462145 abstract "We propose a possible route to achieve high thermoelectric efficiency in molecular junctions by combining a local chemical tuning of the molecular electronic states with the use of semiconducting electrodes. The former allows to control the position of the highest-occupied molecular orbital (HOMO) transmission resonance with respect to the Fermi energy while the latter fulfills a twofold purpose: the suppression of electronlike contributions to the thermopower and the cutoff of the HOMO transmission tails into the semiconductor band gap. As a result a large thermopower can be obtained. Our results strongly suggest that large figures of merit in such molecular junctions can be achieved." @default.
- W2097462145 created "2016-06-24" @default.
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- W2097462145 date "2010-06-03" @default.
- W2097462145 modified "2023-10-12" @default.
- W2097462145 title "Engineering the figure of merit and thermopower in single-molecule devices connected to semiconducting electrodes" @default.
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- W2097462145 doi "https://doi.org/10.1103/physrevb.81.235406" @default.
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