Tuning the thermoelectric properties of a single-molecule junction by mechanical stretching1. Issue 7 (21st February 2015)

• Record Type: Journal Article
• Authors: Torres, Alberto; Pontes, Renato B.; da Silva, Antônio J. R.; Fazzio, Adalberto
• Is Part Of: Physical chemistry chemical physics. Volume 17:Issue 7(2015)
• Page Start: 5386
• Page End: 5392
• Publication Date: 2015-02-21
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c4cp04635h
• Languages: English
• ISSNs: 1463-9076

Abstract

<abstract abstract-type="toc"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <graphic position="anchor" id="ga" xlink:href="ark:/27927/pgjjgmmp35" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />We theoretically investigate, as a function of the stretching, the behaviour of the Seebeck coefficient, the electronic heat conductance and the figure of merit of a molecule-based junction composed of a benzene-1, 4-dithiolate (BDT) molecule coupled to Au(111) surfaces at room temperature.</p> </abstract>