Ab initio POTENTIAL ENERGY SURFACE FOR DISSOCIATIVE CHEMISORPTION OF A HYDROGEN MOLECULE ON THE GRAPHITE (0001) SURFACE

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作者
关大任
蔡政亭
丁世良
邓从豪
王泽新
机构
[1] Department of Applied Chemistry
[2] Qindao Chemical Engineering College
[3] Shandong University
[4] Institute of Theoretical Chemistry
[5] Jinan
基金
中国国家自然科学基金;
关键词
H2-graphite surface system; potential energy surface; dissociative chemisorption; reaction mechanism;
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学科分类号
摘要
Ⅰ. INTRODUCTIONSome experiments showed that after forming graphite monolayer, the catalytic activites of some metal catalysts were reduced and lost. But mechanism of this process is still poorly understood. On the other hand, the reaction of hydrogengraphite system plays an important role in the field of exploiting and the use of energy source. Therefore, this system has attracted attention in further studying the kinetics of its reaction. Demidovish et al. studied EPR on the dissociative adsorption of Hon graphite surfacet. Dihydrogen recombination, being an inverse process
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页码:1015 / 1019
页数:5
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