First-principles Study on Small Palladium Clusters on NiAl(110)Alloy Surface

来源 :The Sixth International Symposium "Atomic Cluster Collision | 被引量 : 0次 | 上传用户:lilinjun0954
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  Theoretical calculations focused on the geometry,stability,electronic and magnetic properties of small palladium clusters Pdn(n=1-5)adsorbed on the NiAl(110)alloy surface were carried out within the framework of density functional theory(DFT).
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  First-principles calculations have been carried out to investigate the adsorption of Pdn(n≤10)clusters on the single-walled(8,0)and(5,5)SiC nanotubes(SiCNT
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