Unraveling the pH-dependent oxygen reduction performance on single-atom catalysts

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.

"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.

About the World Premier International Research Center Initiative (WPI)

The WPI program was launched in 2007 by Japan's Ministry of Education, Culture, Sports, Science and Technology (MEXT) to foster globally visible research centers boasting the highest standards and outstanding research environments. Numbering more than a dozen and operating at institutions throughout the country, these centers are given a high degree of autonomy, allowing them to engage in innovative modes of management and research. The program is administered by the Japan Society for the Promotion of Science (JSPS).

See the latest research news from the centers at the WPI News Portal: https://www.eurekalert.org/newsportal/WPI
Main WPI program site:  www.jsps.go.jp/english/e-toplevel

Advanced Institute for Materials Research (AIMR), Tohoku University

Established as a World-Leading Research Center for Materials Science, AIMR aims to contribute to society through actions as a world-leading research center for materials science and continuous challenges to research frontiers. To this end, the institute gathers excellent researchers in the fields of physics, chemistry, materials science, engineering, and mathematics and provides world-class research environment.