Computational Study of CO2 Adsorption and Activation on Graphene Supported Metal Clusters
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From both the economic and the ecological standpoint, making the process of CO2 reduction more efficient would be of paramount importance. Use of catalysts is a highly attractive strategy to make the process easier. In this study, the adsorption and initial activation of CO2 on four-atom metal clusters supported on a defective graphene sheet have been investigated using a computational approach. Results of different binding configurations of CO2 and the difference among these metal clusters will be discussed.
Vogl, David M., "Computational Study of CO2 Adsorption and Activation on Graphene Supported Metal Clusters" (2016). Fall Interdisciplinary Research Symposium. Paper 1.
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