The group, which incorporates 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 which have long puzzled the scientific community.
Through meticulous evaluation of over 100 M-N-C catalyst structures and comprehensive energetic assessments spanning greater than 2000 data sets, the researchers uncovered a pH-dependent evolution within the catalytic activity of those materials. Contrary to previous assumptions, the study revealed a nuanced response of M-N-C catalysts to various 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 aspects influencing selectivity for various response pathways. By synthesizing a various 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 big milestone in the hunt for efficient and sustainable catalytic materials,” points out Li. “By unraveling the pH-dependence, selectivity, and flexibility of M-N-C catalysts, we’re paving the best way for the event of next-generation catalysts with unprecedented performance and applicability.”
Provided that pH dependence in electrocatalysis may be very common, Li and his colleagues hope to increase this successful model to quite a lot of catalytic reactions moving forward. “We would like to boost the precision of catalytic theoretical models to enable higher screening for high-performance and stable catalysts,” adds Li.
