Investigation of Coulomb blockade diamonds of 7-helicenes interacting with gold nanoparticles

Michala D. Jensen; Caroline Tynell Hansen; Andreas Erbs Hillers-Bendtsen; Kurt V. Mikkelsen

doi:10.1016/j.cplett.2023.140761

Investigation of Coulomb blockade diamonds of 7-helicenes interacting with gold nanoparticles

Michala D. Jensen, Caroline Tynell Hansen, Andreas Erbs Hillers-Bendtsen, Kurt V. Mikkelsen^*

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Journal article › Research › peer-review

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Abstract

Helicene molecules show promising properties for future applications in optoelectronics due to their impressive optical properties and long effective conjugation. In this work, we thus study the properties of [7]-Helicenes in junctions with gold nanoparticles with emphasis on charge transport. The two helicenes are positioned between gold nanoparticles of different sizes creating to emulate molecular junctions and we utilize a combined quantum mechanical/molecular mechanical methodology using the polarizable embedding scheme to compute Coulomb blockade diamonds for the helicenes. Both molecules create Coulomb blockade diamonds following the 1-3-2 pattern.

Original language	English
Article number	140761
Journal	Chemical Physics Letters
Volume	830
Number of pages	5
ISSN	0009-2614
DOIs	https://doi.org/10.1016/j.cplett.2023.140761
Publication status	Published - 2023

Bibliographical note

Funding Information:
Financial support is acknowledged from the European Commission (Grant No. 765739 ), and the Danish Council for Independent Research , DFF-0136-00081B .

Publisher Copyright:
© 2023 The Author(s)

Keywords

Coulomb blockade diamonds
Density functional theory
Helicenes

Access to Document

10.1016/j.cplett.2023.140761Licence: CC BY

FulltextFinal published version, 1.19 MBLicence: CC BY

Cite this

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title = "Investigation of Coulomb blockade diamonds of 7-helicenes interacting with gold nanoparticles",

abstract = "Helicene molecules show promising properties for future applications in optoelectronics due to their impressive optical properties and long effective conjugation. In this work, we thus study the properties of [7]-Helicenes in junctions with gold nanoparticles with emphasis on charge transport. The two helicenes are positioned between gold nanoparticles of different sizes creating to emulate molecular junctions and we utilize a combined quantum mechanical/molecular mechanical methodology using the polarizable embedding scheme to compute Coulomb blockade diamonds for the helicenes. Both molecules create Coulomb blockade diamonds following the 1-3-2 pattern.",

keywords = "Coulomb blockade diamonds, Density functional theory, Helicenes",

author = "Jensen, {Michala D.} and Hansen, {Caroline Tynell} and Hillers-Bendtsen, {Andreas Erbs} and Mikkelsen, {Kurt V.}",

note = "Funding Information: Financial support is acknowledged from the European Commission (Grant No. 765739 ), and the Danish Council for Independent Research , DFF-0136-00081B . Publisher Copyright: {\textcopyright} 2023 The Author(s)",

year = "2023",

doi = "10.1016/j.cplett.2023.140761",

language = "English",

volume = "830",

journal = "Chemical Physics Letters",

issn = "0009-2614",

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T1 - Investigation of Coulomb blockade diamonds of 7-helicenes interacting with gold nanoparticles

AU - Jensen, Michala D.

AU - Hansen, Caroline Tynell

AU - Hillers-Bendtsen, Andreas Erbs

AU - Mikkelsen, Kurt V.

N1 - Funding Information: Financial support is acknowledged from the European Commission (Grant No. 765739 ), and the Danish Council for Independent Research , DFF-0136-00081B . Publisher Copyright: © 2023 The Author(s)

PY - 2023

Y1 - 2023

N2 - Helicene molecules show promising properties for future applications in optoelectronics due to their impressive optical properties and long effective conjugation. In this work, we thus study the properties of [7]-Helicenes in junctions with gold nanoparticles with emphasis on charge transport. The two helicenes are positioned between gold nanoparticles of different sizes creating to emulate molecular junctions and we utilize a combined quantum mechanical/molecular mechanical methodology using the polarizable embedding scheme to compute Coulomb blockade diamonds for the helicenes. Both molecules create Coulomb blockade diamonds following the 1-3-2 pattern.

AB - Helicene molecules show promising properties for future applications in optoelectronics due to their impressive optical properties and long effective conjugation. In this work, we thus study the properties of [7]-Helicenes in junctions with gold nanoparticles with emphasis on charge transport. The two helicenes are positioned between gold nanoparticles of different sizes creating to emulate molecular junctions and we utilize a combined quantum mechanical/molecular mechanical methodology using the polarizable embedding scheme to compute Coulomb blockade diamonds for the helicenes. Both molecules create Coulomb blockade diamonds following the 1-3-2 pattern.

KW - Coulomb blockade diamonds

KW - Density functional theory

KW - Helicenes

U2 - 10.1016/j.cplett.2023.140761

DO - 10.1016/j.cplett.2023.140761

M3 - Journal article

AN - SCOPUS:85169053943

VL - 830

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

M1 - 140761

ER -