Structures, stabilities and electronic properties of TimSi−n (m = 1‒2, n = 14‒20) clusters: a combined ab initio and experimental study
Xue Wu, Qiuying Du, Si Zhou, Xiaoming Huang, Maodu Chen, Lin Miao, Guangjia Yin, Jiashuai Wang, Kai Wang, Bernd von Issendorff, Lei Ma, Jijun Zhao
Topics & Concepts
SuperatomDensity functional theoryBinding energyAb initioElectron affinity (data page)Electronic structureX-ray photoelectron spectroscopyOpen shellComputational chemistryAtomic physicsChemistryCrystallographyMaterials scienceMolecular physicsMoleculePhysicsOrganic chemistryNuclear magnetic resonanceBoron and Carbon Nanomaterials ResearchGraphene research and applicationsFullerene Chemistry and Applications