Study on the Adsorption and Activation Behaviours of Carbon Dioxide over Copper Cluster (Cu4) and Alumina-Supported Copper Catalyst (Cu4/Al2O3) by means of Density Functional Theory

<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 class="align_left">Parameter</td><td class="align_center">Cu4 (tetrahedral)</td><td class="align_center">Cu4/Al2O3</td></tr><tr><td class="thead-hr" colspan="3"><hr/></td></tr><tr><td class="align_left"> </td><td class="align_center">d1a</td><td class="align_center">d1c</td></tr><tr><td class="align_left">Eads</td><td class="align_center">−89.16</td><td class="align_center">−68.77</td></tr><tr><td class="align_left" colspan="3"><hr/></td></tr><tr><td class="align_left"> </td><td class="align_center">d2b</td><td class="align_center">d2d</td></tr><tr><td class="align_left">Eads</td><td class="align_center">−150.49</td><td class="align_center">−87.15</td></tr><tr class="table-tr"><td colspan="3"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

<div>Calculated adsorption energies (Eads, kJ·mol−1).</div>

Journal of Chemistry

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Table 3

Table 3: Study on the Adsorption and Activation Behaviours of Carbon Dioxide over Copper Cluster (Cu4) and Alumina-Supported Copper Catalyst (Cu4/Al2O3) by means of Density Functional Theory

Table 3 | Study on the Adsorption and Activation Behaviours of Carbon Dioxide over Copper Cluster (Cu4) and Alumina-Supported Copper Catalyst (Cu4/Al2O3) by means of Density Functional Theory 