Identifying highly conducting Au?C links through inelastic electron tunneling spectroscopy
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F14%3A00437273" target="_blank" >RIV/68378271:_____/14:00437273 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/jp5077824" target="_blank" >http://dx.doi.org/10.1021/jp5077824</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp5077824" target="_blank" >10.1021/jp5077824</a>
Alternative languages
Result language
angličtina
Original language name
Identifying highly conducting Au?C links through inelastic electron tunneling spectroscopy
Original language description
We use inelastic electron tunneling spectroscopy first-principles simulations to identify the different chemical bonds present at metal?molecule junctions. We unambiguously identify the nature of these bonds from two distinctive features in the calculated spectra: (i) the presence (or absence) of active vibrational modes and (ii) the dependence of vibrational frequencies on electrode separation. We use this method to present a study of the vibrational properties of alkanes bound to the electrodes via highly conducting Au?C links. In the experiment, these links were formed from molecules synthesized with trimethyl-tin (SnMe3) terminations, where the SnMe3 groups were removed in situ at the junction, in a process involving both breaking and formation ofbonds. We obtain the vibrational fingerprint of these links and extend this study to the other scenario considered in that paper (bonding via SnMe2 groups), which may be relevant under other experimental conditions.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry C
ISSN
1932-7447
e-ISSN
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Volume of the periodical
118
Issue of the periodical within the volume
OCT
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
27106-27112
UT code for WoS article
000345474000078
EID of the result in the Scopus database
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