Surface and Core Electronic Structure of Oxidized Silicon Nanocrystals

<table>Degeneracy of states of 8 atoms LUC as a function of levels energy (a), and (b) surface density of states of oxygenated (001)-(<svg height="11.075" id="M20" style="vertical-align:-0.3135pt" version="1.1" viewbox="0 0 32.700001 11.075" width="32.700001" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,11.075)">
<g transform="translate(72,-63.14)">
<text transform="matrix(1,0,0,-1,-71.95,63.5)">
<tspan style="font-size: 12.50px; " x="0" y="0">1</tspan>
<tspan style="font-size: 12.50px; " x="9.0271664" y="0">×</tspan>
<tspan style="font-size: 12.50px; " x="19.804752" y="0">1</tspan>
</text>
</g>
</g>
</svg>) slab with <svg height="13.925" id="M21" style="vertical-align:-0.1254pt" version="1.1" viewbox="0 0 14.0625 13.925" width="14.0625" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,13.925)">
<g transform="translate(72,-60.86)">
<text transform="matrix(1,0,0,-1,-71.95,61.03)">
<tspan style="font-size: 12.50px; " x="0" y="0">𝑎</tspan>
</text>
<text transform="matrix(1,0,0,-1,-65.67,66.03)">
<tspan style="font-size: 8.75px; " x="0" y="0">2</tspan>
</text>
</g>
</g>
</svg> surface area. Zero energy is assigned to the highest occupied molecular orbital (HOMO).</table>

Journal of Nanomaterials

fig8

Figure 8

Figure 8: Surface and Core Electronic Structure of Oxidized Silicon Nanocrystals 