3 papers
physics.chem-ph2026
Multidimensional Design of Metal-Nitrogen-Carbon Electrocatalysts for Direct Propylene Epoxidation
Songbo Ye, Qingyuan Han, Jingwen Chi +6
Propylene oxide is a major industrial chemical whose production currently relies on hazardous chlorine- or peroxide-based oxidants. Direct electrochemical epoxidation using water a…
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…