A Density Functional Theory Study of HF Adsorption on the alpha-AlF3(0001) Surface
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第一作者：Liu Rui
发表时间：2013-01-01
发表刊物：ACTA PHYSICO-CHIMICA SINICA
所属单位：物理化学研究所
文献类型：期刊
卷号：Vol.29
期号：No.2
页面范围：271-278
ISSN号：1000-6818
关键字：HF;alpha-AlF3(0001);Density functional theory;Charge density difference;Density of state
摘要：Using density functional theory, the adsorption behaviors of HF at alpha-AlF3(0001) surfaces with different coverages of 3F, 2F, 1F, and Al terminations were studied systematically. The electronic interactions between HF and the alpha-AlF3(0001) surfaces
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