Theory-guided optimization of coordination sites via d-band modulation for efficient single-atomic Li–S catalysis
Miaoyu Lu, Tianran Yan, Yifan Ding, Shaoqing Chen, Ziang Chen, Jiaxi Gu, Xiaopeng Chen, Liang Zhang, Meng Tian, Jingyu Sun
Topics & Concepts
Antibonding molecular orbitalAtomic orbitalCatalysisMaterials scienceLithium (medication)ElectrochemistryNanotechnologyAtom (system on chip)MoietyRational designChemical physicsElectronChemistryStereochemistryPhysicsPhysical chemistryComputer scienceElectrodeQuantum mechanicsEmbedded systemMedicineBiochemistryEndocrinologyAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsInorganic Chemistry and Materials