Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study

<table>Electronic band structures for the (10, 0) silicon doped CNT (Si-CNT) adsorbates with considered gas molecules adsorption condition:  (a) H<sub>2</sub>, (b) H<sub>2</sub>O, (c) O<sub>2</sub>, (d) CO, (e) CO<sub>2</sub>, (f) NO, (g) NO<sub>2</sub>, (h) NH<sub>3</sub>, (i) CH<sub>3</sub>OH.</table>

Journal of Nanomaterials

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Figure 5

Figure 5: Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study 

Figure 5 | Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study 