Identifying highly conducting Au?C links through inelastic electron tunneling spectroscopy

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Identifying highly conducting Au?C links through inelastic electron tunneling spectroscopy

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Identifying highly conducting Au?C links through inelastic electron tunneling spectroscopy

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

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Svazek periodika

118

Číslo periodika v rámci svazku

OCT

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

27106-27112

Kód UT WoS článku

000345474000078

EID výsledku v databázi Scopus

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