Estudo das propriedades estruturais e eletrônicas de monocamadas e de nanotubos de carbono (C), nitreto de alumínio (AlN) e nitreto de boro (BN) via descrição ab initio

Resumo

The present academic work addresses aspects of mechanics and electronics structure of III-nitrate monolayers. We did a systematic revision of this structures based in first principles calculations with Density Functional Theory (DFT). We also studied the Borophene, a monatomic material made of boron.