Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study

Figure 8

Electronic density of states (DOS) of the Si-CNT adsorbates with considered gas molecules adsorption condition: (a) H₂, (b) H₂O, (c) O₂, (d) CO, (e) NO, (f) NO₂, (g) NH₃, (h) CH₃OH.

(a)

(b)

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(d)

(e)

(f)

(g)

(h)