| 用格点法研究银或银金合金表面上氧的吸附规律 |
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| 引用本文： | 陆靖,谢璎.用格点法研究银或银金合金表面上氧的吸附规律[J].复旦学报(自然科学版),1995,34(1):107-111. |
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| 作者姓名： | 陆靖 谢璎 |
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| 作者单位： | 复旦大学化学系 |
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| 摘 要： | 对混合式格点法作了进一步的改进，并用这一改进方法研究了氧在银或银合金表面上的吸附，结果表明：氧分子在银表面上发生吸附的阈值约为６．５ＫＪ．ｍｏｌ＾－１；氧分子动量大于４５ａｕ或合金中金的质量分数大于０．３时，都不发生分子氧的吸附，另外，处在振动激发态的氧分子比在振动基态的更容易发生吸附。
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| 关 键 词： | 氧 银 吸附 薛定谔方程 格点法 银金合金 |
A grid method study on the rule of oxygen adsorption on silver or silver-gold alloy surface |
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| Lu Jing,Xie Ying,Jiang Fenglin.A grid method study on the rule of oxygen adsorption on silver or silver-gold alloy surface[J].Journal of Fudan University(Natural Science),1995,34(1):107-111. |
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| Authors: | Lu Jing Xie Ying Jiang Fenglin |
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| Institution: | Department of Chemistry |
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| Abstract: | A further improvement has been done on the mixed type grid method. The adsorption of oxygen on sliver or sliver-gold alloy surface has been studied with thisimproved grid method. The results of calculation show that the the threshold value of adsorption is about 6.5 kJ/mol,and the molecular oxygen state adsorption does not present when the momentum of oxygen is more than 45 au or when the mass f4raction of gold in Ag-Au alloy is more thsn 0.30.The calculation asult also shows that adsorption of oxxgen on sliver is easier for a vibration excited oxygen molecule than for a ground state one. |
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| Keywords: | oxygen sliver adsorption Schrodinger equation grid method time-dependentSchrodinger equation |
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