A mechanism-guided descriptor for the hydrogen evolution reaction in 2D ordered double transition-metal carbide MXenes
Junmei Du, Yifan Yan, Xiu‐Mei Li, Jiao Chen, Chunsheng Guo, Yuanzheng Chen, Hongyan Wang
Abstract
- 2.18) not only clarifies structure-activity links but also supports efficient, resource-effective identification of promising catalysts. Our approach offers a new framework for developing descriptors and advancing catalyst screening.
Topics & Concepts
MXenesMechanism (biology)CarbideTransition metalHydrogenMaterials scienceChemical physicsChemistryNanotechnologyPhysicsMetallurgyOrganic chemistryCatalysisQuantum mechanicsMXene and MAX Phase MaterialsAdvanced Memory and Neural Computing2D Materials and Applications