Database Mining of Zeolite Structures
文献类型：期刊论文
| 作者 | Guo, Peng2,3; Yan, Nana1,3; Wang, Lei3; Zou, Xiaodong2 |
| 刊名 | CRYSTAL GROWTH & DESIGN
 |
| 出版日期 | 2017-12-01 |
| 卷号 | 17期号:12页码:6821-6835 |
| ISSN号 | 1528-7483 |
| DOI | 10.1021/acs.cgd.7b01410 |
| 文献子类 | Article |
| 英文摘要 | Zeolites are widely used in industrial applications such as ion exchange, gas separation and adsorption, and organic catalysis. In particular, in petroleum refining and petrochemical productions, zeolites are catalysts of utmost importance. In order to classify the known zeolites and correlate the structures with their unique properties, an online Database of Zeolite Structures was established in 1996 and continuously developed by Baerlocher and McCusker at ETH-Zurich. The database contains a lot of useful structural information such as unit cell dimensions, space group, atomic coordinates of tetrahedra (T) atoms, secondary building units (SBUs), composite building units (CBUs), natural tilings, simulated powder X-ray diffraction (PXRD), etc. It has served the zeolite community for more than 20 years and has made great contributions to the development of zeolites and zeolite-related fields. In this article, we take a further step to mine the intrinsic structural information on zeolites including characteristic unit cell dimensions, butterfly layers, zeolites containing the same building layers, ABC-6 zeolite family, and recently discovered embedded isoreticular RHO family. The database mining of zeolite structures will shed light not only on structural correlations of related existing zeolites but also the structure determination and the further prediction of novel zeolite structures based on the existing ones, which will facilitate the target synthesis of energetically feasible hypothetical zeolite structures. |
| WOS关键词 | EMBEDDED ISORETICULAR STRUCTURES ; ROTATION ELECTRON-DIFFRACTION ; INITIO STRUCTURE SOLUTION ; HIGH-SILICA ZEOLITE ; BOROSILICATE ZEOLITE ; MOLECULAR-SIEVE ; PORE OPENINGS ; CHANNELS ; DESIGN ; REFLECTIONS |
| WOS研究方向 | Chemistry ; Crystallography ; Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000417669900076 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/168376]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 通讯作者 | Guo, Peng; Zou, Xiaodong |
| 作者单位 | 1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 2.Stockholm Univ, Dept Mat & Environm Chem, Berzelii Ctr EXSELENT Porous Mat & Inorgan & Str, SE-10691 Stockholm, Sweden 3.Chinese Acad Sci, Dalian Inst Chem Phys, Natl Engn Lab Methanol Olefins, Dalian Natl Lab Clean Energy, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Guo, Peng,Yan, Nana,Wang, Lei,et al. Database Mining of Zeolite Structures[J]. CRYSTAL GROWTH & DESIGN,2017,17(12):6821-6835. |
| APA | Guo, Peng,Yan, Nana,Wang, Lei,&Zou, Xiaodong.(2017).Database Mining of Zeolite Structures.CRYSTAL GROWTH & DESIGN,17(12),6821-6835. |
| MLA | Guo, Peng,et al."Database Mining of Zeolite Structures".CRYSTAL GROWTH & DESIGN 17.12(2017):6821-6835. |
入库方式： OAI收割
来源：大连化学物理研究所
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