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  5. First-principles investigation of small Pd clusters adsorbed on NiAl(110) surface

First-principles investigation of small Pd clusters adsorbed on NiAl(110) surface

来源 :第十七届全国原子与分子物理学术会议 | 被引量 : 0次 | 上传用户：zty85633278
【摘 要】
：
The geometry, stability, electronic and magnetic properties of small Pd clusters Pdn (n=1-5)adsorbed on the NiAl(110) alloy surface were systematically investig
【作 者】
：
Min Huang Ping Wu Gengyu Cao Fuling Tang 
【机 构】
：
StateKeyLaboratoryofMagneticResonanceandAtomicandMolecularPhysics,WuhanInstituteofPhysicsandMathemat
【出 处】
：
第十七届全国原子与分子物理学术会议
【发表日期】
：
2013年7期
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论文部分内容阅读
The geometry, stability, electronic and magnetic properties of small Pd clusters Pdn (n=1-5)adsorbed on the NiAl(110) alloy surface were systematically investigated by density functional theory (DFT) calculations.The growth modes of Pd on NiAl(100) surface with the increase of Pd coverage were determined by identifying the most stable geometries of Pd clusters adsorbed on the surface.
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