HIGHLIGHTS
SUMMARY
A novel ab initio methodology based on highthroughput 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). The use of OSDA3 allows synthesizing CHA/AEI intergrowths with almost identical disordered low-domains of CHA and AEI, whereas OSDA4 particularly promotes the presence of AEI-enriched domains, as observed by iDPC STEM . . .
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