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.
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2019-07-24
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Ciências exatas e da terra