期刊論文
| 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 | en |
| ISSN | 1098-0121 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 | USA |
| 公開徵稿 | |
| 出版型式 | 電子版 紙本 |
| 相關連結 |
機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/27802 ) |