Catalytic performance and characteristic atom sequences of Pt-Ru alloy system

被引：0

作者：

Peng, Hong-Jian ^{[1
,2
]}

Xie, You-Qing ^{[2
]}

Li, Xiao-Bo ^{[2
]}

Nie, Yue-Zhuang ^{[2
]}

机构：

[1] School of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China

[2] School of Materials Science and Engineering, Central South University, Changsha 410083, China

来源：

Zhongguo Youse Jinshu Xuebao/Chinese Journal of Nonferrous Metals | 2009年 / 19卷 / 01期

关键词：

Lattice constants - Lattice theory - Catalysts - Platinum alloys - Crystal atomic structure - Potential energy - Molecular physics - Atoms - Binary alloys;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Using the characteristic crystal theory (CC), the electronic structures, potential energies, atomic volumes, lattice constants and cohesive energies of characteristic atom sequences and characteristic crystal sequences of Pt-Ru alloy were determined. The stability, catalytic performance and ratio of composition of alloy catalyst were discussed. The potential energies and lattice constants of Pt-Ru ordered alloys in which the atomic ratios of Pt to Ru are 3:1, 1:1 and 1:3, respectively, were calculated. The configuration of component Pt was analyzed. The average properties of Pt-Ru disordered alloys and electronic structures of Pt-component were calculated. The results show that when the content of Ru increases, the potential energy decreases, the stability increases, the lattice constant decreases and the d-orbital vacancy is enlarged, which is advantageous to reaction. The most proper atomic ratio of composition of alloy as catalyst is 1:1.

引用

页码：148 / 152