Conformational behavior and optical properties of a fluorophore dimer as a model of luminescent centers in carbon dots

F Siddique, M Langer, M Paloncýová… - The Journal of …, 2020 - ACS Publications
The explanation of the origin of the fluorescence properties of carbon dots (CDs) represents
an important task because of the great interest in the promising capabilities of these …

Enhanced interlayer coupling in twisted bilayer graphene quantum dots

X Wang, M Yang - Applied Surface Science, 2022 - Elsevier
Interaction at the interface of two layers in twist bilayer graphene (TBG) and its quantum dots
(QDs) is responsible for many of their intriguing properties. Using the block-localized …

First-principles quantum and quantum-classical simulations of exciton diffusion in semiconducting polymer chains at finite temperature

R Hegger, R Binder, I Burghardt - Journal of Chemical Theory and …, 2020 - ACS Publications
We report on first-principles quantum-dynamical and quantum-classical simulations of
photoinduced exciton dynamics in oligothiophene chain segments, representative of …

Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers

D CA Valente, MT Do Casal, M Barbatti… - The Journal of …, 2021 - pubs.aip.org
Extended quantum chemical calculations were performed for the tetracene dimer to provide
benchmark results, analyze the excimer survival process, and explore the possibility of using …

Impact of the core on the inter-branch exciton exchange in dendrimers

V Bonilla, VM Freixas, S Fernandez-Alberti… - Physical Chemistry …, 2023 - pubs.rsc.org
Organic dendrimers with π conjugated systems are capable of capturing solar energy as a
renewable source for human use. Nonetheless, further study regarding the relationship …