We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Theoretical insights into efficient oxygen evolution reaction using non-noble metal single-atom catalysts on W<sub>2</sub>CO<sub>2</sub> MXene.
- Authors
Zhou, Jing-Yu; Han, Zhi-Cheng; Zhao, Shu; Yang, Tao; Yan, Da-Zhou; Yu, Hai-Jun
- Abstract
The pursuit of highly active oxygen evolution reaction (OER) catalysts, especially those free of noble metals, is a focal point in fuel cell research. Utilizing extensive density functional theory calculations, this study designed and evaluated the activity and stability of single-atom catalysts (SACs) composed of 3d, 4d and 5d transition metals supported on tungsten-based MXene for OER applications. Results highlighted the exceptional OER performance of Ni@W2CO2, Rh@W2CO2 and Pt@W2CO2, displaying remarkably low overpotentials. The catalytic activity of TM@W2CO2 SACs exhibited a robust correlation with surface properties, particularly the d-band center index and surface work function. Moreover, Ni@W2CO2, Rh@W2CO2 and Pt@W2CO2 emerged as promising candidates for OER and oxygen reduction reaction (ORR) bifunctional catalysis, while Pt@W2CO2 and Rh@W2CO2 showed high potential for OER and hydrogen evolution reaction (HER) bifunctional catalysis. The effectiveness of tungsten-based MXene as a substrate for non-noble-metal SACs marks a breakthrough in OER catalyst design, driving advancements towards sustainable energy solutions and addressing critical challenges in energy conversion and storage.
- Publication
Rare Metals, 2024, Vol 43, Issue 10, p5082
- ISSN
1001-0521
- Publication type
Article
- DOI
10.1007/s12598-024-02838-y