Computational Study of CO2 Adsorption and Reduction on Doped Graphene Sheets

Authors

Yesukhei Jagvaral, Valparaiso UniversityFollow
Haiying He, Valparaiso UniversityFollow

Faculty Sponsor

Haiying He

College

Arts and Sciences

Discipline(s)

Physics

Presentation Type

Poster Presentation

Symposium Date

Summer 7-28-2016

Abstract

In recent decades, growing CO₂ in the Earth's atmosphere has become a major issue.

Thus, it is crucial to reduce the level of concentration of CO₂ in the atmosphere.

We have investigated the adsorption and reduction of CO₂ on metal-doped graphene sheets, through computational methods. The electrochemical reduction of CO₂ to CO, CH₃OH and CH₄ were calculated. Co-doped graphene sheet shows very promising catalytic behavior for CO₂ reduction with the highest elemental reaction energy less than 0.7 eV. In addition, tThe reaction pathways reveal the possible rate limiting step could be the removal of the second H₂O, CH₃OH or CH₄ from the doped graphene sheet, depending upon the type of dopant in graphene.

Biographical Information about Author(s)

Yesukhei is a Junior Physics major at Valparaiso University. Yesukhei worked during the summer in Neils science center under supervision of Dr. He.

Recommended Citation

Jagvaral, Yesukhei and He, Haiying, "Computational Study of CO2 Adsorption and Reduction on Doped Graphene Sheets" (2016). Symposium on Undergraduate Research and Creative Expression (SOURCE). 576.
https://scholar.valpo.edu/cus/576