Investigation of Coulomb blockade diamonds of 7-helicenes interacting with gold nanoparticles
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Investigation of Coulomb blockade diamonds of 7-helicenes interacting with gold nanoparticles. / Jensen, Michala D.; Hansen, Caroline Tynell; Hillers-Bendtsen, Andreas Erbs; Mikkelsen, Kurt V.
I: Chemical Physics Letters, Bind 830, 140761, 2023.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
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 -
ID: 369986197