Research Article

A First-Principles Study of Gas Molecule Adsorption on Carbon-, Nitrogen-, and Oxygen-Doped Two-Dimensional Borophene

Figure 6

The density of states (DOS) calculations of the most stable adsorption structure: (a) PDOS of C-doped borophene before gas molecule adsorption; (b) TDOS and PDOS of the C-doped borophene/CO2 system; and (c) TDOS and PDOS of the C-doped borophene/NO2 system.
(a)
(b)
(c)