DFT screening of dual-atom catalysts on carbon nanotubes for enhanced oxygen reduction reaction and oxygen evolution reaction: comparing dissociative and associative mechanisms.
X. Zhou, Mohsen Tamtaji, W. Zhou, William A. Goddard III, G. Chen
2024J. Mater. Chem. A, 12(41), 28381-283898cited
Abstract
Compared with associative mechanism, dual-atom catalysts under different surface curvature conditions show enhanced activity for oxygen reduction reaction and oxygen evolution reaction in dissociative mechanism.
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Cite this publication
Zhou, X., Tamtaji, M., Zhou, W., III, W. A. G., & Chen, G. (2024). DFT screening of dual-atom catalysts on carbon nanotubes for enhanced oxygen reduction reaction and oxygen evolution reaction: comparing dissociative and associative mechanisms.. *J. Mater. Chem. A*, *12*(41), 28381-28389. https://doi.org/10.1039/D4TA03519D