Electronic structure reconstruction of Fe-Mn diatomic pair for disentangling activity-stability tradeoff in Fenton-like reactions
Wenqian Li, Lingyu Kong, Zhenyi Wang, Ziwen Han, Bin Zhang, Miao Shi, Kun Qian, Jiaxuan Yang, Xu He, Jun Ma
Topics & Concepts
Diatomic moleculeStability (learning theory)Electronic structureMaterials scienceChemical physicsChemistryComputational chemistryPhysicsComputer scienceQuantum mechanicsMoleculeMachine learningCatalytic Processes in Materials ScienceElectrocatalysts for Energy ConversionRadioactive element chemistry and processing