· 논문명 : Unveiling high-efficient electrochemical ammonia oxidation: A first-principles exploration of Pt-based alloy catalysts

· 저     자 : Jingwen Zhou, Jin Suk Chung, Sung Gu Kang*

· 게재지 : International Journal of Hydrogen Energy (2024, 58, 745-752)

· 초록

Designing effective catalysts for ammonia oxidation reaction (AOR) holds significant promise in establishing a sustainable approach for

hydrogen storage and delivery. This study systematically investigates two distinct mechanisms for AOR on Pt(100) and Pt-based 

alloys M/Pt(100), with M representing Fe, Co, Ni, Cu, and Pd. Thisresearch reveals favorable mechanism occurring at low potential 

and identifies the potential-determining step.Notably, the AOR performance of the pure Pt(100) catalyst is enhanced through M doping. 

Additionally, the performance of hydrogen evolution reaction (HER) of each catalyst is thoroughly assessed to identify the most 

promising candidates comprehensively. An interesting finding of this research is the establishment of a linear relationship of NH2 

adsorption strength with limiting potential on both Pt(100) and M/Pt(100) catalysts, which signifies a preference for the 

combination of N + N and G-M mechanism. Consequently, the adsorption strength of NH2 emerges as a descriptor for assessing the

AOR performance of the catalyst.