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Database Mining of Zeolite Structures
Guo, Peng1,2; Yan, Nana2,3; Wang, Lei2; Zou, Xiaodong1
Source PublicationCRYSTAL GROWTH & DESIGN
2017-12-01
ISSN1528-7483
DOI10.1021/acs.cgd.7b01410
Volume17Issue:12Pages:6821-6835
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectChemistry, Multidisciplinary ; Crystallography ; Materials Science, Multidisciplinary
WOS Research AreaChemistry ; Crystallography ; Materials Science
WOS KeywordEMBEDDED ISORETICULAR STRUCTURES ; ROTATION ELECTRON-DIFFRACTION ; INITIO STRUCTURE SOLUTION ; HIGH-SILICA ZEOLITE ; BOROSILICATE ZEOLITE ; MOLECULAR-SIEVE ; PORE OPENINGS ; CHANNELS ; DESIGN ; REFLECTIONS
AbstractZeolites 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.
Language英语
WOS IDWOS:000417669900076
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:7[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/168377
Collection中国科学院大连化学物理研究所
Corresponding AuthorGuo, Peng; Zou, Xiaodong
Affiliation1.Stockholm Univ, Dept Mat & Environm Chem, Berzelii Ctr EXSELENT Porous Mat & Inorgan & Str, SE-10691 Stockholm, Sweden
2.Chinese Acad Sci, Dalian Inst Chem Phys, Natl Engn Lab Methanol Olefins, Dalian Natl Lab Clean Energy, Dalian 116023, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
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.
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