Jaeyoung Yoo, Jungwoo Choi, Suyeon Choi, Changsoo Lee, Hyuck Mo Lee
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Facet-Controlled Pt3M Alloys as Enhanced Catalysts for Ammonia Oxidation Reaction: A Combined Theoretical and Experimental Study
Ammonia (NH3) is emerging as a promising carbon-free chemical energy source, offering higher storage capacity per unit volume compared to hydrogen and enhanced ease of liquefaction. This makes NH3 suitable for long-distance transportation and various industrial applications. The ammonia oxidation reaction (AOR) is crucial for electrochemically converting NH3 into H2, but current AOR catalysts face commercialization challenges due to cost and efficiency issues. This study explores ways to enhance AOR catalysts through a combined theoretical and experimental approach, focusing on Pt3X (where X represents screening elements) alloys. Density functional theory calculations were employed to analyze the AOR mechanism on Pt(111), (110), and (100) surfaces, identifying descriptors that facilitated the high-throughput screening of Pt3X alloys with (111), (110), and (100) facets for the highest AOR activity. The selected Pt3M (M = Fe, Co, and Ni) alloys were synthesized and characterized, revealing well-defined cubic shapes and superior AOR properties compared to pure Pt. Experimental results confirmed that Pt3Fe and Pt3Co nanocubes exhibit enhanced AOR activity and stability, aligning with theoretical predictions. This integrated approach highlights the potential of Pt3M alloys as cost-effective and efficient AOR catalysts, advancing ammonia electrolysis technologies for hydrogen production.
期刊介绍:
ACS Catalysis is an esteemed journal that publishes original research in the fields of heterogeneous catalysis, molecular catalysis, and biocatalysis. It offers broad coverage across diverse areas such as life sciences, organometallics and synthesis, photochemistry and electrochemistry, drug discovery and synthesis, materials science, environmental protection, polymer discovery and synthesis, and energy and fuels.
The scope of the journal is to showcase innovative work in various aspects of catalysis. This includes new reactions and novel synthetic approaches utilizing known catalysts, the discovery or modification of new catalysts, elucidation of catalytic mechanisms through cutting-edge investigations, practical enhancements of existing processes, as well as conceptual advances in the field. Contributions to ACS Catalysis can encompass both experimental and theoretical research focused on catalytic molecules, macromolecules, and materials that exhibit catalytic turnover.