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.
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(b) |
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