Orbital-regulated interfacial electronic coupling endows Ni3N with superior catalytic surface for hydrogen evolution reaction
Yanyan Fang, Da Sun, Shuwen Niu, Jinyan Cai, Yipeng Zang, Yishang Wu, Linqin Zhu, Yufang Xie, Yun Liu, Zixuan Zhu, Amirabbas Mosallanezhad, Di Tao Niu, Zheng Lu, Junjie Shi, Xiaojing Liu, Dewei Rao, Gongming Wang, Yitai Qian
Topics & Concepts
OverpotentialCatalysisDissociation (chemistry)Atomic orbitalChemical physicsDensity functional theoryHOMO/LUMOHydrogenChemistryMolecular orbitalOxygenAdsorptionElectronic structurePhysical chemistryMaterials scienceMolecular physicsAtomic physicsPhotochemistryElectronComputational chemistryMoleculePhysicsElectrochemistryElectrodeQuantum mechanicsOrganic chemistryBiochemistryElectrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesAdvanced Memory and Neural Computing