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铁道科学与工程学报

JOURNAL OF RAILWAY SCIENCE AND ENGINEERING

Vol. 16    No. 4    August 2006

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Atomic states and properties of Ru-electrocatalyst
PENG Hong-jian(彭红建)1, 2, XIE You-qing(谢佑卿)2,WEI De-liang(魏得良)1

1. School of Chemistry and Chemical Engineering, Central South University,
Changsha 410083, China;
2. School of Materials and Science Engineering, Central South University,
Changsha 410083, China

Abstract: Using the one-atom theory(OA), the atomic states of Ru-electrocatalyst with hcp structure was determined as [Kr](4dn)3.78(4dc)2.22(5sc)1.77(5sf)0.23. The potential curve, elasticity and the temperature dependence of linear thermal expansion coefficient and bulk modulus of hcp-Ru were calculated quantitatively. The atomic states of this metal with fcc and bcc structure and liquid state were also studied. According to its atomic states, the relationship between the atomic states and catalytic performance was explained qualitatively and these supplied Ru-metal and electrocatalyst with complete data for optimum designation in accordance with metal material systematic sicence.

 

Key words: Ru-electrocatalyst; atomic states; catalytic performance

ISSN 1672-7029
CN 43-1423/U

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