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Chemical functionalization of atomically thin nanostructures presents a promising strategy to create new hybrid nanomaterials with remarkable and externally controllable properties. Here, we review our research in the field of theoretical modeling of carbon nanotubes, graphene, and transition metal dichalcogenides located in molecular dipole fields. In particular, we provide a microscopic view on...
We reveal the ultrafast intervalley dynamics in monolayer WS2 with a spectrally-resolved ultrafast pump-probe experiment and a microscopic theory. We find strong intervalley Coulomb coupling in the atomically thin semiconductor.
The study of carbon-based hybrid nanostructures is an emerging field of current research. In particular, photo-active molecules have been shown to considerably influence optical properties of carbon nanotubes suggesting realization of molecular switches. Here, we focus on the qualitative nature of molecule–substrate coupling within carbon-based hybrid nanostructures including nanoribbons and graphene...
Hybrid nanostructures are an emerging field in current research. The goal is to tailor material systems with desired electronic or optical properties by functionalization with molecules. Based on the density matrix formalism, we present a theoretical study on the optical properties of graphene functionalized with photoactive spiropyran molecules. Our calculations reveal the impact of the functionalization...
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