most citedFirst principles calculations of the electronic properties of O- and O2-NbSe2 complexes

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cond-mat.mtrl-sci2022★ 1 cited

First principles calculations of the electronic properties of O- and O2-NbSe2 complexes

Alvanh Alem G. Pido, Bryan P. Pagcaliwagan

Purpose: We investigated the interaction of O and O2 on monolayer Niobium Diselenide (NbSe2) to provide theoretical predictions about the electronic properties of the complexes usi…