教師資料查詢 | 類別: 期刊論文 | 教師: 李明憲 LEE, MING-HSIEN (瀏覽個人網頁)

標題:Ab initio study of the hygroscopic properties of borate crystals
學年93
學期1
出版(發表)日期2004/12/01
作品名稱Ab initio study of the hygroscopic properties of borate crystals
作品名稱(其他語言)
著者Lin, Zhe-shuai; Xu, L.-F.; Li, R.-K.; Wang, Zhi-zhong; Chen, Chuang-tian; Lee, Ming-Hsien; Wang, E.-G.; Wang, Ding-Sheng
單位淡江大學物理學系
出版者College Park: American Physical Society
著錄名稱、卷期、頁數Physical Review B (Condensed Matter and Materials Physics) 70(23), 233104(4pages)
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.
關鍵字boric acid; ab initio calculation; crystal structure; density functional theory; energy absorption; molecule;wettability
語言英文
ISSN1098-0121;1550-235X;1538-4489
期刊性質國外
收錄於SCI
產學合作
通訊作者
審稿制度
國別美國
公開徵稿
出版型式電子版;紙本
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