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    Please use this identifier to cite or link to this item: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/27802

    Title: Ab initio study of the hygroscopic properties of borate crystals
    Authors: Lin, Zhe-shuai;Xu, L.-F.;Li, R.-K.;Wang, Zhi-zhong;Chen, Chuang-tian;Lee, Ming-Hsien;Wang, E.-G.;Wang, Ding-Sheng
    Contributors: 淡江大學物理學系
    Keywords: boric acid;ab initio calculation;crystal structure;density functional theory;energy absorption;molecule;wettability
    Date: 2004-12
    Issue Date: 2013-07-09 15:17:18 (UTC+8)
    Publisher: College Park: American Physical Society
    Abstract: 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.
    Relation: Physical Review B (Condensed Matter and Materials Physics) 70(23), 233104(4pages)
    DOI: 10.1103/PhysRevB.70.233104
    Appears in Collections:[物理學系暨研究所] 期刊論文

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