Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study
Figure 4
Electronic band structures for the (10, 0) boron doped CNT (B-CNT) adsorbates with considered gas molecules adsorption condition: (a) H2, (b) NO, (c) H2O, (d) CO, (e) NO2, (f) CO2.