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	A novel approach for facilitating the targeted synthesis of silicoaluminophosphates
	Yan, Nana1,2; Wang, Lei1; Liu, Xiaona1,2; Wu, Pengfei1,2; Sun, Tantan1,2; Xu, Shutao1; Han, Jingfeng1; Guo, Peng1; Tian, Peng1; Liu, Zhongmin1
刊名	Journal of materials chemistry a
	2018-12-21
卷号	6期号:47页码:24186-24193
ISSN号	2050-7488
DOI	10.1039/c8ta08134d
通讯作者	Guo, peng(pguo@dicp.ac.cn) ; Tian, peng(tianpeng@dicp.ac.cn) ; Liu, zhongmin(zml@dicp.ac.cn)
英文摘要	The targeted synthesis of crystalline microporous silicoaluminophosphate (sapo) molecular sieves (mss) with desired topologies is challenging. conventionally, the trial-and-error approach assisted by computational methods is widely utilized for this exploration. the identification of predicted organic structure-directing agents (osdas) by this method is usually based on a neutral aluminophosphate or pure silica framework as the initial structural model, ignoring the host-guest interaction. to some extent, this may affect the prediction result. herein, we present a novel approach called rss (refining, summarizing, and searching), which is used for identifying appropriate osdas for synthesizing specific sapo mss. the rss approach is mainly based on understanding the structural roles of the alkyl groups of osdas and the host-guest interaction elucidated from refinement analysis against experimental diffraction data. by adopting the rss approach, the osdas of a small pore sapo ms dnl-6 (rho topology) have been extended from two types reported by us to fourteen additional commercialized ones. dnl-6 has shown promising co2/n-2 gas separation and the unique intermediate heptamethylbenezenium cations have been identified in dnl-6 during the methional-to-olefin (mto) reaction in our previous work. the universality of this approach manifests the targeted synthesis of another sapo ms sapo-42 (lta topology) by employing cheap commercialized osdas. before our work, this material could only be synthesized using complex and expensive osdas in a toxic f- medium.
WOS关键词	STRUCTURE-DIRECTING AGENTS ; COMPUTATIONALLY-GUIDED SYNTHESIS ; MOLECULAR-SIEVE DNL-6 ; ZEOLITE ; TEMPLATE ; PHASE
WOS研究方向	Chemistry ; Energy & Fuels ; Materials Science
WOS类目	Chemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000452482900024
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2372954
专题	大连化学物理研究所
通讯作者	Guo, Peng; Tian, Peng; Liu, Zhongmin
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian Natl Lab Clean Energy, Natl Engn Lab Methanol Olefins, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Yan, Nana,Wang, Lei,Liu, Xiaona,et al. A novel approach for facilitating the targeted synthesis of silicoaluminophosphates[J]. Journal of materials chemistry a,2018,6(47):24186-24193.
APA	Yan, Nana.,Wang, Lei.,Liu, Xiaona.,Wu, Pengfei.,Sun, Tantan.,...&Liu, Zhongmin.(2018).A novel approach for facilitating the targeted synthesis of silicoaluminophosphates.Journal of materials chemistry a,6(47),24186-24193.
MLA	Yan, Nana,et al."A novel approach for facilitating the targeted synthesis of silicoaluminophosphates".Journal of materials chemistry a 6.47(2018):24186-24193.

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