Affiliation:
1. Jiangsu University of Science and Technology
Abstract
The geometric structures of PtNN0,±clusters are optimized by the B3LYP/LANL2DZ method of density function theory, the ground state structures are obtained, and the electronic structure are studied. The results show: the N atoms gain the charge when the clusters are formed, but some Pt atoms gain the charge and other Pt atoms lose the charge. N atom and Pt atom have internal heterozygous, and the spd hybridized between Pt atoms and N atoms are increasing with cluster s’ sizes.
Publisher
Trans Tech Publications, Ltd.
Reference4 articles.
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1 articles.
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