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First-principles study of the adsorption of oxygen on alloy NiAI{o1}

First-principles study of the adsorption of oxygen on alloy NiAI{o1}
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出处 《材料科学与工程(中英文版)》 2008年第7期24-30,共7页 Journal of Materials Science and Engineering
关键词 原子氧 吸附 第一原理 合金 密度泛函理论 平衡晶格常数 体积弹性模量 计算结果 density functional theory electronic structure adsorption
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参考文献23

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