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

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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 languageEnglish
Article number140761
JournalChemical Physics Letters
Volume830
Number of pages5
ISSN0009-2614
DOIs
Publication statusPublished - 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)

    Research areas

  • Coulomb blockade diamonds, Density functional theory, Helicenes

ID: 369986197