Properties of Charged Quasiparticles in Highly Confined Materials

Abstract

The use of confined materials is profoundly shaping our civilization. Today, con finement remains an important design choice in many modern materials, such as graphene, fullerene, and graphene nanoribbons. For most optoelectronic devices, charge transport is a pivotal step. In organic materials, it is convenient to interpret the mechanism as the drifting of quasiparticles, resulting from the coupling of a localized charge with phonon clouds. Un derstanding their properties can elucidate the response of complex confined systems and pro vide the theoretical foundation for proposing new materials. In this work, eight studies on the properties of charge quasiparticles in confined materials are presented. Each study addresses specific facets of quasiparticle physics, such as mechanical and electronic stability, transport efficiency, structural design, and temperature effects. Four main systems with different confine ment regimes are considered: conjugated polymers (1D), graphene nanoribbons (2D), bilayer graphene nanoribbons (quasi-2D), and molecular crystals (2D). The physical description of the molecules is achieved using model Hamiltonians that account for lattice relaxation effects. The dynamics of charged quasiparticles were determined by simulating their interaction with a time-dependent external electric field. The findings contribute to the theoretical understanding of highly confined systems and may inspire future applied research in materials science.