| H2在催化剂上的吸附行为 |
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| 引用本文： | 徐文媛,周洁霞,龙威,李敏,陈丽萍,胡林.H2在催化剂上的吸附行为[J].吉首大学学报(自然科学版),2012,33(5):88-91. |
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| 作者姓名： | 徐文媛 周洁霞 龙威 李敏 陈丽萍 胡林 |
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| 作者单位： | （华东交通大学基础科学学院化学化工系，江西 南昌 330013） |
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| 基金项目： | 国家自然科学基金资助项目(21163005,31160187);校级创新项目(YC2011-X017) |
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| 摘 要： | 研究了氢气在金属体Ni(111)表面的top，bridge，hcp，fcc这4个不同位置吸附能以及4个吸附位中H原子距离下层Ni原子层的垂直距离，可知hcp和fcc这2种空洞位的吸附要稳定些，bridge吸附位是非常不稳定的，容易走向hcp位吸附.各吸附位的吸附能分别是Ead-top=－11.622 kJ·mol-1，Ead-bridge=－12.036 kJ·mol-1，Ead-hcp=－12.047 kJ·mol-1，Ead-fcc=－12.078 kJ·mol-1，表明H2在表面Ni(111)的4种吸附属于化学吸附.表面Pt(111)，Rh(111)，Ru(111)对具有H2相似的吸附行为有待进一步的研究.
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| 关 键 词： | 氢气 金属催化剂 吸附行为 |
Adsorption Behavior of H2 on Catalyst |
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| XU Wen-yuan,ZHOU Jie-xia,LONG Wei,LI Min,CHEN Li-ping,HU Lin.Adsorption Behavior of H2 on Catalyst[J].Journal of Jishou University(Natural Science Edition),2012,33(5):88-91. |
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| Authors: | XU Wen-yuan ZHOU Jie-xia LONG Wei LI Min CHEN Li-ping HU Lin |
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| Affiliation: | (Department of Chemistry and Chemical Engineering School of Basic Sciences,East China Jiaotong University,Nanchang 330013,China) |
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| Abstract: | The adsorption behaviors of H2 at the positions of top,bridge,HCP,and FCC on the Ni(111) surface are compared and the respetive vertical distanees between the atom H and the atomic layer Ni are studied.The adsorption behavior at HCP and FCC is stable,while that at bridge adsorption position is not very stable,which is easy to shift to HCP bit adsorption.The adsorption energy at the four different positions was calculatedand obtained as:Ead-top=－11.622 kJ·mol-1，Ead-bridge=－12.036 kJ·mol-1，Ead-hcp=－12.047 kJ·mol-1，Ead-fcc=－12.078 kJ·mol-1.The results indicate that four kinds of adsorption of H2 on surface Ni(111) belong to chemical adsorption.The adsorption behavior of H2 on surface Pt(111),Rh(111) and Rh(111) need further research. |
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| Keywords: | hydrogen metal catalyst adsorption behavior |
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