Computational Study of CO2 Adsorption and Activation on Graphene Supported Metal Clusters
Faculty Sponsor
Haiying He
College
Arts and Sciences
Discipline(s)
Physics and Astronomy
ORCID Identifier(s)
0000-0002-3634-242
Presentation Type
Poster Presentation
Symposium 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.
Recommended Citation
Vogl, David M. and He, Haiying, "Computational Study of CO2 Adsorption and Activation on Graphene Supported Metal Clusters" (2016). Symposium on Undergraduate Research and Creative Expression (SOURCE). 575.
https://scholar.valpo.edu/cus/575
Biographical Information about Author(s)
David Vogl is currently a junior at Valparaiso University, Majoring in Physics and Creative Writing.