Physicochemical Characterization of a New 2D Semiconductor Carbon Allotrope, C16: An Investigation via Density Functional Theory and Machine Learning-based Molecular Dynamics

Kleuton A. L. Lima, Rodrigo A. F. Alves, Elie A. Moujaes +4

This study comprehensively characterizes, with suggested applications, a novel two-dimensional carbon allotrope, C${}_{16}$, using Density Functional Theory and machine learning-base…