Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study
Figure 7
Electronic density of states (DOS) of the B-CNT adsorbates with considered gas molecules adsorption condition: (a) H2, (b) H2O, (c) O2, (d) CO, (e) CO2, (f) NO, (g) NO2, (h) NH3, (i) CH3OH.