Different distributions of isolated SiO4 tetrahedra in SAPO-35 zeolites revealed by high-throughput computations (IMAGE)

Science China Press

Different distributions of isolated SiO4 tetrahedra in SAPO-35 zeolites revealed by high-throughput computations

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Top 10 stable Si-distribution models for SAPO-35 zeolites prepared (A) with methylpiperidine (NMP) and (B) with hexamethyleneimine (HMI). These models were obtained from high-throughput computations on 44,697 enumerated SAPO-35 models. Template molecules were omitted for clarity.

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