Research Article
Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study
Figure 1
Gas molecules adsorbents model (a) (10, 0) zigzag single-walled Pristine Carbon nanotube, (b) (10, 0) zigzag single-walled Boron doped carbon nanotube (B-CNT), and (c) (10, 0) zigzag single-walled silicon doped carbon nanotube (Si-CNT).