淡江大學機構典藏:Item 987654321/27802
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    题名: Ab initio study of the hygroscopic properties of borate crystals
    作者: Lin, Zhe-shuai;Xu, L.-F.;Li, R.-K.;Wang, Zhi-zhong;Chen, Chuang-tian;Lee, Ming-Hsien;Wang, E.-G.;Wang, Ding-Sheng
    贡献者: 淡江大學物理學系
    关键词: boric acid;ab initio calculation;crystal structure;density functional theory;energy absorption;molecule;wettability
    日期: 2004-12
    上传时间: 2013-07-09 15:17:18 (UTC+8)
    出版者: College Park: American Physical Society
    摘要: The hygroscopic properties of the borate crystals LiB3O5, CsB3O5, and CsLiB6O10 are studied by density-functional theory. It is found that the absorption energy and the diffusion mechanism of water molecules differ significantly for the three crystals. The deliquescent properties of borate crystals are determined mainly by the stress induced by water absorption. Our calculations are in good agreement with experimental observations.
    關聯: Physical Review B (Condensed Matter and Materials Physics) 70(23), 233104(4pages)
    DOI: 10.1103/PhysRevB.70.233104
    显示于类别:[物理學系暨研究所] 期刊論文

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