Correlation of electrochemical properties of expanded pyridinium compounds with their single molecule conductance
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F18%3A00482685" target="_blank" >RIV/61388955:_____/18:00482685 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.electacta.2018.01.094" target="_blank" >http://dx.doi.org/10.1016/j.electacta.2018.01.094</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.electacta.2018.01.094" target="_blank" >10.1016/j.electacta.2018.01.094</a>
Alternative languages
Result language
angličtina
Original language name
Correlation of electrochemical properties of expanded pyridinium compounds with their single molecule conductance
Original language description
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.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Electrochimica acta
ISSN
0013-4686
e-ISSN
—
Volume of the periodical
301
Issue of the periodical within the volume
FEB 2018
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
301-311
UT code for WoS article
000424644800034
EID of the result in the Scopus database
2-s2.0-85041422230