d-s/p orbital hybridization-driven synergy in heteronuclear dual-atom catalysts on CN/C2N for high-efficiency lithium-sulfur batteries
Chou Wu, Shaobo Jia, Haiyan Zhu, Jianxiao Shang, Tingting Li, Shanlin Chen, Zhequn Ren, Ghulam Meeladi, Bingbing Suo, Wenli Zou, Yawei Li
Topics & Concepts
Heteronuclear moleculeHomonuclear moleculeCatalysisDensity functional theoryChemistryTransition metalOrbital hybridisationAtomic orbitalDissociation (chemistry)Molecular orbitalMetalInorganic chemistryPhysical chemistryMaterials scienceSulfurComputational chemistryPlatinumBond-dissociation energyHOMO/LUMOBattery (electricity)MoleculeChemical physicsAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesElectrocatalysts for Energy Conversion