| 杂质对ZnO/Ni反担载催化剂表面H化学吸附的影响 |
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| 引用本文： | 张莹,籍远明.杂质对ZnO/Ni反担载催化剂表面H化学吸附的影响[J].河南师范大学学报(自然科学版),1997,25(4):36-39. |
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| 作者姓名： | 张莹 籍远明 |
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| 作者单位： | 河南师范大学物理系 |
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| 摘 要： | 本文在紧束缚近似下，利用格林函数方法和ＥＳ化学吸附理论研究杂质对Ｈ在反担载催化剂ＺｎＯ／Ｎｉ表面化学吸附的影响。研究结果表明，微扰Δε＜０的杂质削弱化学吸附，Δε＞０的杂质增强化学吸附，并且杂质位于载体第一层时对化学吸附影响最大。
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| 关 键 词： | 紧束缚近似 格林函数方法 化学吸附能 |
Impurity Effects on H Chemisorption with ZnO/Ni System |
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| Zhang Ying\ Chen Jian \ Ji Yuanming.Impurity Effects on H Chemisorption with ZnO/Ni System[J].Journal of Henan Normal University(Natural Science),1997,25(4):36-39. |
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| Authors: | Zhang Ying\ Chen Jian \ Ji Yuanming |
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| Institution: | Zhang Ying\ Chen Jian \ Ji Yuanming ** |
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| Abstract: | One dimentional tight binding approximation and Green function method are used to investigate the influence of a substitutional impurity atom over H chemisorption which is on the surface of ZnO/Ni system.The metal Ni is represented by a semi infinite chain of orbitals,while the semiconductor ZnO is characterized by a linear chain of alternating s and p orbitals.The results are as following: The impurity with effective perturbation potentialΔε>0 may decrease the H chemisorption,the impurity with Δε<0 can strengthen the H chemisorption and when on the first layer of ZnO/Ni,the impurity has the strongest effect on H chemisorption. |
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| Keywords: | tight binding approximation Green function method chemisorption energy |
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