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

<table class="table-group" id="tab3"><tr><td><table class="table"><tr><td class="thead-hr" colspan="3"><hr/></td></tr><tr class="thead"><td align="left">Gas molecules</td><td align="center">Adsorption type</td><td align="center">High sensitive adsorbate model </td></tr><tr><td class="thead-hr" colspan="3"><hr/></td></tr><tr><td align="left">H<sub>2</sub>, H<sub>2</sub>O, NO, NO<sub>2</sub>, CO, CO<sub>2</sub>, and NH<sub>3</sub></td><td align="center">Chemisorption</td><td align="center">Boron doped carbon (B-CNT) nanotubes</td></tr><tr><td align="left">
									O<sub>2</sub> and CH<sub>2</sub>OH</td><td align="center">Chemisorption</td><td align="center">Silicon doped carbon (Si-CNT) nanotubes</td></tr><tr class="table-tr"><td colspan="3"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

Recommendations for a high sensitive specified adsorbate model for considered gas molecules.

Journal of Nanomaterials

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Table 3

Table 3: Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study 

Table 3 | Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study 