Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure‐Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx

Bello‐Jurado, Estefanía; Schwalbe‐Koda, Daniel; Nero, Mathias; Paris, Cecilia; Uusimäki, Toni; Román‐Leshkov, Yuriy; Corma, Avelino; Willhammar, Tom; Gómez‐Bombarelli, Rafael; Moliner, Manuel

doi:10.1002/anie.202201837

Title: Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure‐Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx

Journal Article · 18 May 2022 · Angewandte Chemie (International Edition)

DOI: https://doi.org/10.1002/anie.202201837 · OSTI ID:1868637

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Instituto de Tecnología Química Universitat Politècnica de València—Consejo Superior de Investigaciones Científicas (UPV-CSIC) Avenida de los Naranjos s/n 46022 València Spain
Department of Materials Science and Engineering Massachusetts Institute of Technology Cambridge MA 02139 USA
Department of Materials and Environmental Chemistry Stockholm University Stockholm University 10691 Stockholm Sweden
Department of Chemical Engineering Massachusetts Institute of Technology Cambridge MA 02139 USA

Abstract A novel ab initio methodology based on high‐throughput simulations has permitted designing unique biselective organic structure‐directing agents (OSDAs) that allow the efficient synthesis of CHA/AEI zeolite intergrowth materials with controlled phase compositions. Distinctive local crystallographic ordering of the CHA/AEI intergrowths was revealed at the nanoscale level using integrated differential phase contrast scanning transmission electron microscopy (iDPC STEM). These novel CHA/AEI materials have been tested for the selective catalytic reduction (SCR) of NOx, presenting an outstanding catalytic performance and hydrothermal stability, even surpassing the performance of the well‐established commercial CHA‐type catalyst. This methodology opens the possibility for synthetizing new zeolite intergrowths with more complex structures and unique catalytic properties.

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Research Organization:: Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

Sponsoring Organization:: Spanish Government; Swedish Research Council; USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0016214

OSTI ID:: 1868637

Journal Information:: Angewandte Chemie (International Edition), Journal Name: Angewandte Chemie (International Edition) Journal Issue: 28 Vol. 61; ISSN 1433-7851

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Biselective OSDAs
CHA/AEI intergrowths
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Cu-containing zeolites
Machine learning
SCR-NOx

Title: Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure‐Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx

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