2 papers
cond-mat.mtrl-sci2026
Coordination Engineering of Dual-Atom Catalysts for Overall Water Splitting: Mechanistic Insights from Constant-Potential First-Principles and Machine Learning
Jiahang Li, Suhang Li, Chong Yan +4
The rational design of bifunctional electrocatalysts for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) is essential for achieving efficient and cost-eff…
cond-mat.mtrl-sci2026
Potential-Induced Dynamic Coordination of Nonmetal Atoms Directly Bound to Metal Centers in Graphene-Embedded Single-Atom Catalysts and Its Implications
Jiahang Li, Suhang Li, Chong Yan +3
Electrode-potential-induced dynamic coordination is an essential factor governing the performance of graphene-embedded single-atom catalysts (SACs). While previous studies have pri…