First-Principle Studies of the Structural, Electronic, and Optical Properties of Double-Walled Carbon Boron Nitride Nanostructures Heterosystem under Various Interwall Distances

<table class="table-group" id="tab3"><tr><td><table class="table"><tr><td class="thead-hr" colspan="5"><hr/></td></tr><tr class="thead"><td class="align_left">Structure</td><td class="align_center">IWD (nm)</td><td class="align_center">Inner diameter (Å)</td><td class="align_center">DFT bandgap (eV)</td><td class="align_center"><i>G</i><sub>0</sub><i> W</i><sub>0</sub> bandgap (eV)</td></tr><tr><td class="thead-hr" colspan="5"><hr/></td></tr><tr><td class="align_left">CBNNT</td><td class="align_center">3.00</td><td class="align_center">7.10</td><td class="align_center">3.30</td><td class="align_center">3.10</td></tr><tr><td class="align_left">CBNNT</td><td class="align_center">2.30</td><td class="align_center">7.60</td><td class="align_center">1.79</td><td class="align_center">1.80</td></tr><tr><td class="align_left">CBNNT</td><td class="align_center">1.50</td><td class="align_center">8.00</td><td class="align_center">08.1</td><td class="align_center">1.01</td></tr><tr class="table-tr"><td colspan="5"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

<div>Effects of IWD on the electronic properties of DWCBNNT.</div>

Journal of Chemistry

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Table 3

Table 3: First-Principle Studies of the Structural, Electronic, and Optical Properties of Double-Walled Carbon Boron Nitride Nanostructures Heterosystem under Various Interwall Distances 

Table 3 | First-Principle Studies of the Structural, Electronic, and Optical Properties of Double-Walled Carbon Boron Nitride Nanostructures Heterosystem under Various Interwall Distances 