Low Dimensional Carbon Materials: A Computational Perspective
Silvio Osella a
a University of Warsaw, Centre of New Technologies, Poland., Stefana Banacha, 2c, Warszawa, Poland
Materials for Sustainable Development Conference (MATSUS)
Proceedings of nanoGe Spring Meeting 2022 (NSM22)
#LowEnOpto22. Low-dimensional Semiconductors for Energy and Optoelectronic Research: a Journey from 0 to 2D
Online, Spain, 2022 March 7th - 11th
Organizers: Ilka Kriegel, Teresa Gatti and Francesco Scotognella
Invited Speaker, Silvio Osella, presentation 035
DOI: https://doi.org/10.29363/nanoge.nsm.2022.035
Publication date: 7th February 2022

In recent years, a plethora of material systems have been designed and prepared to increase the performance of light harvesting and light-emitting technologies, and to develop new and attractive applications. Limitations of state-of-the-art devices based on organics (both conjugated polymers or small molecules/oligomers) derive largely from material stability issues after prolonged operation. This challenge could be tackled by leveraging the enhanced stability of carbon nanostructures, including carbon nanotubes, nanoribbons and the large family of graphene based materials, in carefully designed nano-hybrid or nano-composite architectures to be integrated within photo-active layers, paving the way to the exploitation of these materials in contexts in which their potential has not been yet fully revealed. In this talk, we discuss the theoretical background behind carbon nanomaterials hybridization with other materials for the establishment of novel optoelectronic properties. By retrieving to a multiscale computational protocol, it is possible to assess the opto-electronic, transport and transfer properties of the assembly and its components, in order to optimize the absorption of light and the transfer of energy/charges at the interface. In particular, we will focus on 0D/2D interfaces in which graphene is coupled with small organic molecules, and how the creation of an hybrid system is beneficial for the enhancement of the optoelectronic and transport properties of the materials.

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