Adsorption Mechanism of Typical Gases Exhaled by Lung Cancer Patients on the Anatase TiO2 (101) Surface

<table class="table-group" id="tab3"><tr><td><table class="table"><tr><td class="thead-hr" colspan="4"><hr/></td></tr><tr class="thead"><td class="align_left">Calculation system</td><td class="align_center">EHOMO (eV)</td><td class="align_center">ELUMO (eV)</td><td class="align_center">Eg (eV)</td></tr><tr><td class="thead-hr" colspan="4"><hr/></td></tr><tr><td class="align_left">TiO2</td><td class="align_center">−7.480</td><td class="align_center">−5.532</td><td class="align_center">1.948</td></tr><tr><td class="align_left">TiO2-C6H6</td><td class="align_center">−6.599</td><td class="align_center">−5.488</td><td class="align_center">1.110</td></tr><tr><td class="align_left">TiO2-C8H8</td><td class="align_center">−6.207</td><td class="align_center">−5.432</td><td class="align_center">0.775</td></tr><tr><td class="align_left">TiO2-C5H8</td><td class="align_center">−6.215</td><td class="align_center">−5.393</td><td class="align_center">0.824</td></tr><tr class="table-tr"><td colspan="4"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

Energy gap of TiO2 and the three adsorption structures.

Journal of Sensors

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Table 3

Table 3: Adsorption Mechanism of Typical Gases Exhaled by Lung Cancer Patients on the Anatase TiO2 (101) Surface