Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design
Result description
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
Keywords
The result's identifiers
Result code in IS VaVaI
Result on the web
DOI - Digital Object Identifier
Alternative languages
Result language
angličtina
Original language name
Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design
Original language description
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
Czech name
—
Czech description
—
Classification
Type
Jimp - 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
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Nanoscale
ISSN
2040-3364
e-ISSN
—
Volume of the periodical
11
Issue of the periodical within the volume
27
Country of publishing house
GB - UNITED KINGDOM
Number of pages
6
Pages from-to
12959-12964
UT code for WoS article
000475482200021
EID of the result in the Scopus database
2-s2.0-85069532406
Basic information
Result type
Jimp - Article in a specialist periodical, which is included in the Web of Science database
OECD FORD
Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
Year of implementation
2019