Targeted synthesis of zeolites from calculated interaction between zeolite structure and organic template

Abstract

Zeolites, a class of silica-based porous materials, have been widely employed in the of chemical industry such as sorption, separation, catalysis, and ion-exchange. Normally, the synthesis of zeolites is performed in the presence of organic templates from trial-and-error route, which is labor-intensive and empirical. In recent years, theoretical simulation from the interaction between zeolite structure and organic template has been used to guide the synthesis of zeolites, which is time-saving. In this review, the recent progresses for the targeted synthesis of zeolites from interaction between zeolite structure and organic template are briefly outlined including design of new templates for zeolite synthesis, preparation of zeolites with new composition, development of novel routes for zeolite synthesis, synthesis of intergrowth zeolites, generation of novel zeolite structures, control of zeolite morphology, and modulation of aluminum distribution in the zeolites. These targeted syntheses reveal that the minimum energy principle from the theoretical simulation is a key for guiding zeolite crystallization. This review would be important for zeolite researchers to rationally synthesize zeolites and effectively design new zeolite structures.

Design of an Organic Template for Synthesizing ITR Zeolites under Ge-Free Conditions

“…It is well known that organic templates play a critical role in zeolite synthesis, and good compatibility between the zeolite structure and the organic template is one of the important factors for the synthesis of the targeted zeolites. 40 To gain insights into ITR zeolite synthesis, it is crucial to compare the difference between ITR and ITH zeolite structures first. From the viewpoint of microporous connectivity, it is found that the channel formed by the 9-MR along the a-axis in the ITH structure is straight (Figures 1a and S2a,b), while the channel formed by 9-MRs along the c-axis in the ITR structure is not straight (Figures 1b and S2c−e).…”

“…It is well known that organic templates play a critical role in zeolite synthesis, and good compatibility between the zeolite structure and the organic template is one of the important factors for the synthesis of the targeted zeolites . To gain insights into ITR zeolite synthesis, it is crucial to compare the difference between ITR and ITH zeolite structures first.…”

Solid‐state Li–air batteries: Fundamentals, challenges, and strategies

“…Zeolites emerge as a novel type of SSEs for solid‐state LABs as first explored by Chi et al 27,116 As shown in Figure 6D, the structure of zeolites is characterized by corner‐sharing tetrahedra of Al, Si, and P joined by oxygen bridge bonds as the primary building units, giving an open framework with well‐defined micropores 145 . Benefiting from the superiority of ordered micropores and incessant ion‐migration pathway, as well as intrinsic stability toward Li metal and air atmosphere, zeolites demonstrate fascinating compatibility in solid‐state LABs 116,146 .…”

“…Zeolites emerge as a novel type of SSEs for solid-state LABs as first explored by Chi et al 27,116 As shown in Figure 6D, the structure of zeolites is characterized by corner-sharing tetrahedra of Al, Si, and P joined by oxygen bridge bonds as the primary building units, giving an open framework with well-defined micropores. 145 Benefiting from the superiority of ordered micropores and incessant ion-migration pathway, as well as intrinsic stability toward Li metal and air atmosphere, zeolites demonstrate fascinating compatibility in solid-state LABs. 116,146 The Li + exchanged zeolite membrane (LiXZM) presents a high σ Li of 2.7 × 10 −4 S/cm and a low electronic conductivity of 1.5 × 10 −10 S/cm, accompanied by the high compatibility to Li anode and air, provided an all-in-one strategy for solving interfacial issues, Li dendrites, and stability concerns in solid-state LABs.…”

Facile synthesis of aluminosilicate zeolites with STT, CHA and MWW topology structures

“…Due to the obscure mechanism of zeolite crystallization, current research studies on zeolite synthesis still rely on experience or trial and error. 9,10 Structure directing agents (SDAs) are widely employed in zeolite synthesis, though template-free methods have been implemented for synthesizing several types of zeolites. 11 The role of SDAs in zeolite synthesis is fasci-nating.…”