Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F19%3A00505955" target="_blank" >RIV/61388955:_____/19:00505955 - isvavai.cz</a>

Výsledek na webu

<a href="http://hdl.handle.net/11104/0297276" target="_blank" >http://hdl.handle.net/11104/0297276</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/C9NR04071D" target="_blank" >10.1039/C9NR04071D</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design

Popis výsledku v původním jazyce

Tetraphenylmethane tripod functionalized with three thiol moieties in para position can serve as a supporting platform for functional molecular electronic elements. A combined experimental scanning tunneling microscopy break junction technique with theoretical approaches based on density functional theory and non-equilibrium Green’s function formalism were used for detailed charge transport analysis to find configurations, geometries and charge transport pathways in molecular junctions of single molecule oligo-1,4-phenylene conductors containing this tripodal anchoring group. The effect of molecular length (n = 1 to 4 repeating phenylene units) on the charge transport properties and junction configurations is addressed. The number of covalent attachments between the electrode and the tripodal platform changes with n affecting the contact conductance of the junction. The longest homologue n = 4 adopts an upright configuration with all three para thiolate moieties of the tripod attached to the gold electrode. Contact conductance of the tetraphenylmethane tripod substituted by thiols in para position is higher than of that substituted in meta position. Such molecular arrangement is highly conducting and allows well-defined directional positioning of a variety of functional groups.nn

Název v anglickém jazyce

Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design

Popis výsledku anglicky

Tetraphenylmethane tripod functionalized with three thiol moieties in para position can serve as a supporting platform for functional molecular electronic elements. A combined experimental scanning tunneling microscopy break junction technique with theoretical approaches based on density functional theory and non-equilibrium Green’s function formalism were used for detailed charge transport analysis to find configurations, geometries and charge transport pathways in molecular junctions of single molecule oligo-1,4-phenylene conductors containing this tripodal anchoring group. The effect of molecular length (n = 1 to 4 repeating phenylene units) on the charge transport properties and junction configurations is addressed. The number of covalent attachments between the electrode and the tripodal platform changes with n affecting the contact conductance of the junction. The longest homologue n = 4 adopts an upright configuration with all three para thiolate moieties of the tripod attached to the gold electrode. Contact conductance of the tetraphenylmethane tripod substituted by thiols in para position is higher than of that substituted in meta position. Such molecular arrangement is highly conducting and allows well-defined directional positioning of a variety of functional groups.nn

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Nanoscale

ISSN

2040-3364

e-ISSN

—

Svazek periodika

11

Číslo periodika v rámci svazku

27

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

6

Strana od-do

12959-12964

Kód UT WoS článku

000475482200021

EID výsledku v databázi Scopus

2-s2.0-85069532406