Author

A. L. da Rosa

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Preprint Aug 2026

Engineering Excitons through Polymorphism and Dimensional Confinement in Low-Dimensional Tellurium

The interplay between dimensionality, band-edge electronic structure, and electron-hole interactions governs the optical response of low-dimensional tellurium, yet the microscopic origin of its excitonic behavior remains largely unexplored. Here, we investigate the quasiparticle, excitonic, and optical properties of tw...

Gabriel Elyas Gama Araújo, A. C. Dias, A. D. da Rosa · 0 citations

Review Open access Feb 2026

Chalcogen Impurity Barriers in 2D Systems via Semi-Empirical/Machine Learning Modeling: A Survey of 4000 Materials

Adequate characterization of two-dimensional (2D) materials with low energy barriers for impurity adsorption is key for advancing applications based on catalysis, sensing, and surface functionalization. However, first-principles methods, such as density functional theory, are often computationally extremely expensive f...

M. L. Pereira, M. G. E. da Luz, P. Cesana et al. · Journal of Chemical Theory a... · 0 citations