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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

2020Journal of Nanoparticle Research10 citationsDOI

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
First-principles study of AuSn (2 ≤ n ≤ 7) clusters: structural, electronic, magnetic, spectral properties, and adsorption properties with O2 and H2O | Litcius