Correlation of electrochemical properties of expanded pyridinium compounds with their single molecule conductance

Nováková Lachmanová, Štěpánka; Šebera, Jakub; Kolivoška, Viliam; Gasior, Jindřich; Mészáros, G.; Dupeyre, G.; Lainé, P. P.; Hromadová, Magdaléna

doi:https://dx.doi.org/10.1016/j.electacta.2018.01.094

Number of the records: 1

Correlation of electrochemical properties of expanded pyridinium compounds with their single molecule conductance

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SYSNO ASEP	0482685
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Correlation of electrochemical properties of expanded pyridinium compounds with their single molecule conductance
Author(s)	Nováková Lachmanová, Štěpánka (UFCH-W)_{ORCID, RID} Šebera, Jakub (UFCH-W)_{ORCID, RID} Kolivoška, Viliam (UFCH-W)_{RID, ORCID} Gasior, Jindřich (UFCH-W) Mészáros, G. (HU) Dupeyre, G. (FR) Lainé, P. P. (FR) Hromadová, Magdaléna (UFCH-W)_{RID, ORCID, SAI}
Source Title	Electrochimica acta. - : Elsevier - ISSN 0013-4686 Roč. 301, FEB 2018 (2018), s. 301-311
Number of pages	11 s.
Language	eng - English
Country	GB - United Kingdom
Keywords	Expanded pyridinium ; Electron transfer and electron transport ; Single molecule conductance
Subject RIV	CG - Electrochemistry
OECD category	Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
R&D Projects	GA18-04682S GA ČR - Czech Science Foundation (CSF)
	GJ16-07460Y GA ČR - Czech Science Foundation (CSF)
	7AMB15FR027 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
Institutional support	UFCH-W - RVO:61388955
UT WOS	000424644800034
EID SCOPUS	85041422230
DOI	10.1016/j.electacta.2018.01.094
Annotation	A series of four expanded pyridinium molecules were used to investigate the correlation between a single molecule conductance (electron transport) and redox (electron transfer) properties at the electrode\|electrolyte interface. Quantum chemical calculations of the transmission functions using DFT and non-equilibrium Green's function approach confirmed LUMO‒mediated electron transport in the break junction experiment. Single molecule conductance data can be rationalized within the framework of the non‒resonant tunneling mechanism. More interestingly, a linear correlation was found between the conductance values and the apparent electron transfer rate constants for three molecules of this series.
Workplace	J. Heyrovsky Institute of Physical Chemistry
Contact	Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
Year of Publishing	2019

Number of the records: 1