Exploring the Catalytic Potential of Noble and Non-Noble Metals for Carbon Monoxide Oxidation: A Computational Study

The oxidation of carbon monoxide (CO) to carbon dioxide (CO₂) is critical due to the harmful effects of CO emissions on human health and the environment. As a colorless and odorless gas, CO poses serious health risks, including headaches, fatigue, dizziness, and, in severe cases, death, primarily due to its interference with oxygen delivery to the brain. CO emissions from sources such as automobiles, power generators, and industrial processes continue to significantly contribute to air pollution, especially in developing nations. This study employs a computational approach to compare the catalytic effectiveness of noble and non-noble metals in the oxidation of CO to CO₂. The investigation explores various adsorption modes of surface oxygen, CO, and CO₂ across selected metal surfaces. The results highlight the comparative catalytic potential of noble versus non-noble metals in facilitating CO oxidation. Insights from this study could play a critical role in optimizing CO oxidation strategies to reduce harmful emissions, thereby contributing to improved air quality and environmental sustainability, particularly in communities most affected by CO pollution. The findings have important implications for the development of more efficient and sustainable catalytic converters and exhaust treatment systems. By enhancing the understanding of CO oxidation on different metal surfaces, this research can inform the design of better emission control technologies, promoting both environmental sustainability and improved air quality. Ultimately, this study emphasizes the need to continue refining catalytic processes to tackle the global challenge of air pollution and its associated health risks.