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="tab1"><tr><td><table class="table"><tr><td class="thead-hr" colspan="3"><hr/></td></tr><tr class="thead"><td class="align_left">Structure</td><td class="align_center">Eb</td><td class="align_center">Qup–Qdown</td></tr><tr><td class="thead-hr" colspan="3"><hr/></td></tr><tr><td class="align_left">Tetrahedron</td><td class="align_center">2.39</td><td class="align_center">2</td></tr><tr><td class="align_left">Rhombus</td><td class="align_center">2.80</td><td class="align_center">0</td></tr><tr class="table-tr"><td colspan="3"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

<div>Calculated binding energies (Eb, eV/atom) and the total spin polarization (Qup–Qdown) of Cu4 clusters.</div>

Journal of Chemistry

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Table 1

Table 1: 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 1 | 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 