A5053142546- 2D Materials and Applications
- Molecular Junctions and Nanostructures
- Graphene research and applications
- Perovskite Materials and Applications
- Boron and Carbon Nanomaterials Research
- MXene and MAX Phase Materials
Humboldt-Universität zu Berlin
2022-2024
Freie Universität Berlin
2022-2023
The design of low-dimensional organic-inorganic interfaces for the next generation opto-electronic applications requires in-depth understanding microscopic mechanisms ruling electronic interactions in these systems. In this work, we present a first-principles study based on density-functional theory inspecting structural, energetic, and properties five molecular donors acceptors adsorbed freestanding hexagonal boron nitride (hBN) molybdenum disulfide (MoS2) monolayers. All considered are...
Abstract Heterostructures obtained by combining two-dimensional (2D) sheets are widely investigated as a platform for designing new materials with customised characteristics. Transition metal dichalcogenides (TMDCs) often combined hexagonal boron nitride (hBN) to enhance their excitonic resonances. However, little is known about how stacking affects excitons and plasmons in TMDCs or mutual interactions. Here, we combine momentum-resolved electron energy-loss spectroscopy first-principles...
The adsorption of carbon-conjugated molecules represents an established route to tuning the electronic and optical properties transition-metal dichalcogenide (TMDC) monolayers. Here, we demonstrate from first principles that such a functionalization with prototypical compounds pyrene tetracene can also enhance magnitude selected plasmon resonances in MoS2 single sheet without significantly altering their energy dispersion. Our proof-of-principle results indicate magnification be achieved by...
The adsorption of carbon-conjugated molecules represents an established route to tune the electronic and optical properties transition metal dichalcogenide (TMDC) monolayers. Here, we demonstrate from first principles that such a functionalization with prototypical compounds pyrene tetracene can also enhance magnitude selected plasmon resonances in MoS$_2$ single sheet, without significantly altering their energy dispersion. Our proof-of-principle results indicate magnification be achieved...