Date of Publication

2024

Document Type

Master's Thesis

Degree Name

Master of Science in Physics

Subject Categories

Physical Chemistry | Physics

College

College of Science

Department/Unit

Physics

Thesis Advisor

Nelson B. Arboleda, Jr.

Defense Panel Chair

Michelle T. Natividad

Defense Panel Member

Al Rey C. Villagracia
Allan Abraham B. Padama

Abstract/Summary

One way to mitigate the effects of the anthropogenic climate change is to significantly reduce the level of greenhouse gases in the atmosphere such as CO₂. The relatively high dissociation energy of CO₂ poses a major challenge in designing an industrial process to break it down. In this study, the feasibility of using single-atom Ni-decorated graphene as a catalyst for the direct CO₂ dissociation process (defined in two steps: (1) CO₂ → CO + O and (2) CO → C + O) was determined through a combination of density functional theory and climbing image nudged elastic band method. It is found out that the Ni-decorated graphene significantly reduced the associated dissociation energy for each step. While not exhaustive, this study opens a new avenue for investigating the feasibility of CO₂ dissociation as a viable industrial process and also the use of graphene as a support structure in industrial processes.

Abstract Format

html

Language

English

Format

Electronic

Keywords

Carbon dioxide; Dissociation; Nickel; Graphene; Greenhouse gases

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Embargo Period

8-15-2027

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Available for download on Sunday, August 15, 2027

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