geoscience.net logo
+ Resolve Article
+ Follow Us
Follow on FacebookFollow on Facebook
Follow on TwitterFollow on Twitter

+ Translate
+ Subscribe to Site Feed
GeoScience Most Shared ContentMost Shared Content

Tuning the thermoelectric properties of a single-molecule junction by mechanical stretching


, : Tuning the thermoelectric properties of a single-molecule junction by mechanical stretching. Physical Chemistry Chemical Physics 17(7): 5386-5392

We theoretically investigate, as a function of the stretching, the behaviour of the thermoelectric properties - the Seebeck coefficient (S), the electronic heat conductance (κel) and the figure of merit (ZT) - of a molecule-based junction composed of a benzene-1,4-dithiolate molecule (BDT) coupled to Au(111) surfaces at room temperature. We show that the thermoelectric properties of a single molecule junction can be tuned by mechanic stretching. The Seebeck coefficient is positive, indicating that it is dominated by the HOMO. Furthermore, it increases as the HOMO level, which is associated to the sulphur atom, tends towards energies close to the Fermi energy. By modelling the transmission coefficient of the system as a single Lorentzian peak, we propose a scheme to obtain the maximum ZT of any molecular junction.

US$19.90

PMID: 25612893

DOI: 10.1039/c4cp04635h


Other references

Soussi, T.; Caron de Fromentel, C.; Breugnot, C.; May, E., 1988: Nucleotide sequence of a cDNA encoding the rat p53 nuclear oncoprotein. Clones containing the rat p53 cDNA were isolated from a rat Py T21 cell cDNA library. Three of the cDNA clones hybridized with a probe corresponding to the mouse p53 cDNA, and all of them were shown to derive from a single mRNA species. The cDNA c...

Franceschi, M.; Oueslati, L.; Enea, G., 1989: Multivariable regulation of an agricultural greenhouse. Multivariable control through minimization of a quadratic criterion is described as a means of automatic greenhouse climate control. It is demonstrated that this control method gives satisfactory dynamic temp. and humidity patterns and control amp...

Loeliger, E.A.; Hemker, H.C., 1970: Control of long-term anticoagulant treatment. Lancet 1(7652): 894-894

Bokil, H.; Tchernichovsky, O.; Mitra, P.P., 2006: Dynamic phenotypes: time series analysis techniques for characterizing neuronal and behavioral dynamics. We consider quantitative measures of behavioral and neuronal dynamics as a means of characterizing phenotypes. Such measures are important from a scientific perspective; because understanding brain function is contingent on understanding the link...

Ettala, T.; Virtanen, A.I., 1962: On the labelling of sulphur-containing amino acids and gamma-glutamylpeptides after injection of labelled sulphate into onion. Acta Chem Scand 16(8): 2061-2063

Boxt, L.M.; Katz, J.; Liebovitch, L.S.; Jones, R.; Esser, P.D.; Reid, L., 1994: Fractal analysis of pulmonary arteries: the fractal dimension is lower in pulmonary hypertension. We analyzed the spatial structure of contact radiographs of barium-filled pulmonary arteries of rats raised in room air and in two environments that induce pulmonary arterial hypertension (PAH)--hypoxia and hyperoxia. We found that the spatial str...

Anonymous, 1983: Neurosurgical research information. Neurosurgery 12(2): 235-240

Barbier, E.B.; Cox, M., 2004: An economic analysis of shrimp farm expansion and mangrove conversion in Thailand. This study analyses the factors determining mangrove conversion by shrimp farmers in the coastal provinces of Thailand between 1979 and 1996. The profit-maximizing behaviour of a shrimp farmer converting mangrove area under open access conditions...

Ahangarpour, A.; Afshari, G.; Mard, S.A.; Khodadadi, A.; Hashemitabar, M., 2016: Preventive effects of procyanidin A2 on glucose homeostasis, pancreatic and duodenal homebox 1, and glucose transporter 2 gene expression disturbance induced by bisphenol A in male mice. Procyanidins (PCs) as oligomeric compounds with antidiabetic properties formed from catechin and epicatechin molecules. Bisphenol A(BPA) is a common chemical material use in food and beverage packaging. The aim of this study was to explore the pro...

Nizza, A.; Sarubbi, F.; Moniello, G.; Cutrignelli, M.I.; Lella, T. di, 1997: Use of feeds with different content and botanical original starch for rabbits. Digestive utilization and productive performance before and after slaughter. From 50 to 70 days old 128 crossbred Hyla rabbits, in cages of 1 male and 1 female, were given diets similar in protein and structural carbohydrate content with 23 or 28% starch provided by maize or wheat. Final liveweight, mean daily gain, slaugh...