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 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.
293936.fig.004a
(a)
293936.fig.004b
(b)
293936.fig.004c
(c)
293936.fig.004d
(d)
293936.fig.004e
(e)
293936.fig.004f
(f)