Structural evolution, electronic and magnetic properties investigation of V3Si− (n = 14–18) clusters based on photoelectron spectroscopy and density functional theory calculations
Kai Wang, Guangjia Yin, Zezhao Jia, Lin Miao, Hongyuan Zhao, Ramiro Moro, Bernd von Issendorff, Lei Ma
Topics & Concepts
Density functional theoryMulliken population analysisCluster (spacecraft)X-ray photoelectron spectroscopyDopantMaterials scienceGround stateMagnetic momentElectronic structureAtom (system on chip)CrystallographyChemistryChemical physicsMolecular physicsDopingAtomic physicsComputational chemistryCondensed matter physicsPhysicsNuclear magnetic resonanceComputer scienceProgramming languageOptoelectronicsEmbedded systemAdvancements in Battery MaterialsSemiconductor materials and interfacesInorganic Chemistry and Materials