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

<table>Optimized stable configurations of the Si-CNT nanotube adsorbates with considered gas molecules: (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 2: Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study 

Figure 2 | Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study 