Computational Screening of a Single-Atom Catalyst Supported by Monolayer Nb2S2C for Oxygen Reduction Reaction

• Main Authors: Yeoh, K. H., Chang, Y. H. R., Chew, K. -h., Jiang, J., Yoon, T. L., Ong, D. S., Goh, B. T.
• Format: Article
• Published: American Chemical Society 2024
• Subjects: Q Science (General); QC Physics
• Online Access: http://eprints.um.edu.my/47052/; https://doi.org/10.1021/acs.langmuir.3c03188
• Institution: Universiti Malaya

The search for high-performance catalysts to improve the catalytic activity for an oxygen reduction reaction (ORR) is crucial for developing a proton exchange membrane fuel cell. Using the first-principles method, we have performed computational screening on a series of transition metal (TM) atoms e...