Title

Computational Study of CO2 Adsorption and Activation on Graphene Supported Metal Clusters

Faculty Sponsor

Haiying He

College

Arts and Sciences

Department/Program

Physics and Astronomy

ORCID Identifier(s)

0000-0002-3634-242

Document Type

Poster Presentation

Celebration Date

Summer 7-28-2016

Abstract

Computational Study of CO2 Adsorption and Activation on Graphene Supported Metal Clusters

Abstract

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. Graphene has shown very promising properties as a catalyst, including good conductivity and high surface area. In addition, studies have shown that subnanometal clusters display unique catalytic properties superior to their bulk counterparts. Combining these two has led to a number of unique and very effective catalysts. 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.

Biographical Information about Author(s)

David Vogl is currently a junior at Valparaiso University, Majoring in Physics and Creative Writing.

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