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cond-mat.mtrl-sci2025
Breaking the Sabatier Principle by Dynamic Adsorption-Desorption Decoupling in Electrocatalytic Hydrogen Evolution
Zi-Xuan Yang, Lei Li, Tao Huang +5
The Sabatier principle establishes a fundamental trade-off in heterogeneous electrocatalysis.In the hydrogen evolution reaction (HER), this trade-off is manifested by the coupling…
cond-mat.mtrl-sci2025
Active-Spin-State-Derived Descriptor for Hydrogen Evolution Reaction Catalysis
Yu Tan, Lei Li, Zi-Xuan Yang +7
Spin states are pivotal in modulating the electrocatalytic activity of transition-metal (TM)-based compounds, yet quantitatively evaluating the activity-spin state correlation rema…
cond-mat.mtrl-sci2025
Electronic origin of stability of 2D 1H-phase Janus transition metal dichalcogenides and beyond
Lei Li, Ji-Chun Lian, Zi-Xuan Yang +8
Janus transition metal dichalcogenides (JTMDs) monolayers have emerged as a new paradigm to broaden the family of two-dimensional (2D) materials. Despite numerous theoretical predi…