First-principles study of AuSn (2 ≤ n ≤ 7) clusters: structural, electronic, magnetic, spectral properties, and adsorption properties with O2 and H2O
Guijun Chen, Shao-Yi Wu, Qing Zhang, Hao Fu, Qin-Sheng Zhu, Xiaoyu Li, Xiao-Hong Chen
Topics & Concepts
Materials sciencePolarizabilityAtom (system on chip)Magnetic momentDelocalized electronDipoleDensity functional theoryAdsorptionMolecular physicsMoleculeBond lengthAtomic physicsCrystallographyCondensed matter physicsComputational chemistryPhysical chemistryPhysicsChemistryEmbedded systemQuantum mechanicsComputer scienceZnO doping and propertiesChalcogenide Semiconductor Thin FilmsCatalytic Processes in Materials Science