3 papers
cond-mat.mtrl-sci2026
Spin State versus Potential of Zero Charge as Predictors of Density-Dependent Oxygen Reduction in M-N-C Electrocatalysts
Di Zhang, Zixun Yu, Fangzhou Liu +6
Metal-site density strongly influences oxygen reduction activity and selectivity in M-N-C electrocatalysts, but the descriptors that predict these trends remain under debate. Here,…
cond-mat.mtrl-sci2026
A unified descriptor framework for hydrogen storage capacity and equilibrium pressure in interstitial hydrides
Seong-Hoon Jang, Di Zhang, Xue Jia +9
Hydrogen is a promising energy carrier, yet its practical deployment is limited by the lack of storage materials that simultaneously achieve high storage capacity () and practic…
physics.chem-ph2025
Why Do Weak-Binding M-N-C Single-Atom Catalysts Possess Anomalously High Oxygen Reduction Activity?
Di Zhang, Fangxin She, Jiaxiang Chen +2
Single-atom catalysts (SACs) with metal-nitrogen-carbon (M-N-C) structures are widely recognized as promising candidates in oxygen reduction reactions (ORR). According to the class…