2021
DOI: 10.1021/acsanm.1c01511
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SAPO-34 Zeolite Nanocrystals Coated with ZrO2 as Catalysts for Methanol-to-Olefin Conversion

Abstract: The methanol-to-olefin reactions over SAPO-34 zeolites have been fascinating since the selectivity for valuable light olefins is high. However, the catalyst lifetime is very short due to rapid formation of coke on SAPO-34. Herein, we propose a method to coat the external surface of SAPO-34 nanocrystals with crystalline ZrO2 derived from UiO-66, Zr-based metal–organic frameworks (MOFs), that inhibits coke formation. Powder X-ray diffraction and transmission electron microscopy images implied that the crystallin… Show more

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Cited by 6 publications
(3 citation statements)
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“…In this formula, the “ real ” region in the E MM(real) energy term is the whole 156 T model. The “ model ” region in the E MM(model) and E QM(model) terms represents the active region where the MTP reaction occurs. The atoms in the “ model ” region are displayed by colored balls in Figure and treated by the high-level quantum mechanics (QM) methods. Therefore, the ″ model ″ region is also called the “QM” region.…”
Section: Computational Modeling and Methodsmentioning
confidence: 99%
“…In this formula, the “ real ” region in the E MM(real) energy term is the whole 156 T model. The “ model ” region in the E MM(model) and E QM(model) terms represents the active region where the MTP reaction occurs. The atoms in the “ model ” region are displayed by colored balls in Figure and treated by the high-level quantum mechanics (QM) methods. Therefore, the ″ model ″ region is also called the “QM” region.…”
Section: Computational Modeling and Methodsmentioning
confidence: 99%
“…The catalytic center and reactant molecules are in the inner region. [36][37][38][39][40] Nonbonded van der Waals (VDW) and long-range electrostatic interactions are treated by the MM energy terms. In the ONIOM scheme, MM electrostatic energy is calculated by Coulomb's law, that is, the classical charge-charge interaction.…”
Section: Computational Detailsmentioning
confidence: 99%
“…19 T h i s c o n t e n t i s ZrO 2 supported on zeolites could increase the Lewis/ Brønsted ratio of zeolites and form a hierarchical pore structure that inhibits coke deposition because the framework Al species were distorted after Zr atoms incorporating into the framework of zeolites. 20,21 However, ZrO 2 -zeolite catalysts have high Brønsted acid density due to their Si−OH.…”
Section: Introductionmentioning
confidence: 99%