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.
Originalsprog | Engelsk |
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Artikelnummer | 140761 |
Tidsskrift | Chemical Physics Letters |
Vol/bind | 830 |
Antal sider | 5 |
ISSN | 0009-2614 |
DOI | |
Status | Udgivet - 2023 |
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© 2023 The Author(s)
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