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Scientists have identified metal-nitrogen-carbon (M-N-C) SACs as efficient and cost-effective alternatives to platinum-based catalysts in critical applications such as fuel cells and batteries. Despite their promise, however, there are still several aspects of their behavior in the oxygen reduction reaction - a crucial process that occurs in various electrochemical systems - that are not well understood, such as their activity dependence on pH, selectivity for different electron transfer pathways, and the identification of rate-determining steps. The cover of our article which unveiled an interesting pH-dependent evolution in oxygen reduction reaction (ORR) activity volcanos for M—N—C single-atom catalysts. ©Hao Li et al. The group, which includes Hao Li, Associate Professor at Tohoku University's Advanced Institute for Materials Research (WPI-AIMR), delved deep into the intricacies of M-N-C catalysts, addressing fundamental questions that have long puzzled the scientific community. Through meticulous analysis of over 100 M-N-C catalyst structures and comprehensive energetic assessments spanning more than 2000 data sets, the researchers uncovered a pH-dependent evolution in the catalytic activity of these materials. Contrary to previous assumptions, the study revealed a nuanced response of M-N-C catalysts to varying pH levels, with some exhibiting remarkable stability and performance across acidic and alkaline environments. The research also highlighted the intricate interplay between the catalyst's composition and its performance, elucidating factors influencing selectivity for different reaction pathways. By synthesizing a diverse array of M-N-C catalysts and subjecting them to rigorous experimental testing, the team validated their theoretical predictions, affirming the accuracy of their models in predicting key catalytic parameters. The microkinetic ORR volcano models of M-N-C SACs and rate-determining analyses. ©Hao Li et al. “Our findings represent a significant milestone in the quest for efficient and sustainable catalytic materials,” points out Li. “By unraveling the pH-dependence, selectivity, and versatility of M-N-C catalysts, we are paving the way for the development of next-generation catalysts with unprecedented performance and applicability.” Given that pH dependence in electrocatalysis is very common, Li and his colleagues hope to extend this successful model to a variety of catalytic reactions moving forward. “We want to enhance the precision of catalytic theoretical models to enable better screening for high-performance and stable catalysts,” adds Li. Experimental characterization, performance tests, and validations. a-e, Metal K-edge X-ray absorption near-edge structure (XANES) of the MPc/CNT, FePc/CNT-R, and M-COF366/CNT catalysts and their reference samples. ©Hao Li et al. Publication Details Title: Unraveling the pH-Dependent Oxygen Reduction Performance on Single-Atom Catalysts: From Single- to Dual-Sabatier Optima Authors: Di Zhang, Zhuyu Wang, Fangzhou Liu, Peiyun Yi, Linfa Peng, Yuan Chen, Li Wei*, and Hao Li* Journal: Journal of the American Chemical Society DOI: 10.1021/jacs.3c11246 Contact Hao LiAdvanced Institute for Materials Research (WPI-AIMR), Tohoku University E-mail: li.hao.b8&＃64;tohoku.ac.jp Webstie: Hao Li Laboratory Tweet Achievements Press Releases 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 Media & Award 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 AIMResearch About AIMResearch Research Highlights 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 In the Spotlight 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 Email Alert Sign up Publications Headlines 05/22/2024 Machine Learning Accelerates Discovery o... 05/16/2024 New Data-Driven Model Rapidly Predicts D... 05/15/2024 Researchers Unlock Vital Insights into M... 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