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.