Thermally induced charge current through long molecules

Natalya A. Zimbovskaya, Abraham Nitzan

Research output: Contribution to journalArticlepeer-review


In this work, we theoretically study steady state thermoelectric transport through a single-molecule junction with a long chain-like bridge. Electron transmission through the system is computed using a tight-binding model for the bridge. We analyze dependences of thermocurrent on the bridge length in unbiased and biased systems operating within and beyond the linear response regime. It is shown that the length-dependent thermocurrent is controlled by the lineshape of electron transmission in the interval corresponding to the HOMO/LUMO transport channel. Also, it is demonstrated that electron interactions with molecular vibrations may significantly affect the length-dependent thermocurrent.

Original languageEnglish
Article number024303
JournalJournal of Chemical Physics
Issue number2
StatePublished - 14 Jan 2018


FundersFunder number
U.S. NSFCHE1665291
National Science Foundation1523463
Norsk Sykepleierforbund


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