Investigation of Coulomb blockade diamonds of 7-helicenes interacting with gold nanoparticles
Research output: Contribution to journal › Journal article › Research › peer-review
Documents
- Fulltext
Final published version, 1.19 MB, PDF document
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 | |
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)
- Coulomb blockade diamonds, Density functional theory, Helicenes
Research areas
ID: 369986197