沸石
成核
无定形固体
吸附
热液循环
水热合成
化学工程
材料科学
戒指(化学)
化学物理
催化作用
化学
结晶学
计算化学
作者
Debdas Dhabal,Andressa A Bertolazzo,Valeria Molinero
标识
DOI:10.1002/anie.202205095
摘要
Zeolites with a few unit cells are promising as catalyst and adsorbents. The quest to synthesize the smallest zeolites has recently resulted in 4 to 8 nm nanozeolites, about 2 to 4 unit cells. These findings pose the question of what is the smallest zeolite that could be obtained by hydrothermal synthesis. Here we address this question using molecular simulations and thermodynamic analysis. The simulations predict that amorphous precursors as small as 4 nm can crystallize zeolites, in agreement with the experiments. We find that interfacial forces dominate the structure of smaller particles, resulting in size-dependent compact isomers that have ring and pore distributions different from open framework zeolites. The instability of zeolites smaller than 3±0.5 nm precludes a classical mechanism of nucleation from solution or through assembly of small nanoslabs.
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