Structure and properties of microporous titanosilicate determined by first-principles calculations
文献类型：期刊论文
| 作者 | Ching WY ; Xu YN ; Gu ZQ |
| 刊名 | physical review b
 |
| 出版日期 | 1996 |
| 卷号 | 54期号:22页码:15585-15589 |
| 关键词 | ZEOLITE ETS-10 |
| ISSN号 | 0163-1829 |
| 通讯作者 | ching wy univ missouridept physkansas citymo 64110. |
| 中文摘要 | the structure of est-10, a member of synthetic microporous titanosilicates, was recently determined by an ingenious combination of experimental and simulational techniques. however, the locations of the alkali atoms in the framework remain elusive and its electronic structure is totally unknown. based on first-principles local density calculations, the possible locations of the alkali atoms are identified and its electronic structure and bonding fully elucidated. ets-10 is a semiconductor with a direct band gap of 2.33 ev. the na atoms are likely to locate inside the seven-member ring pore adjacent to the one-dimensional ti-o-ti-o- chain. |
| 学科主题 | 半导体物理 |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2010-11-17 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/15325]  |
| 专题 | 半导体研究所_中国科学院半导体研究所（2009年前） |
| 推荐引用方式 GB/T 7714 | Ching WY,Xu YN,Gu ZQ. Structure and properties of microporous titanosilicate determined by first-principles calculations[J]. physical review b,1996,54(22):15585-15589. |
| APA | Ching WY,Xu YN,&Gu ZQ.(1996).Structure and properties of microporous titanosilicate determined by first-principles calculations.physical review b,54(22),15585-15589. |
| MLA | Ching WY,et al."Structure and properties of microporous titanosilicate determined by first-principles calculations".physical review b 54.22(1996):15585-15589. |
入库方式： OAI收割
来源：半导体研究所
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