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Density functional theory (DFT) calculations were employed to investigate the positions of Al in the framework of Na-MCM-22 as well as the locations and strengths of Brönsted acid sites in the corresponding H-MCM-22 analogue. Thermodynamically, the most favorable sites for locating Al are T7 and T1 sites, followed by T5, T3 and T4, while T2, T8 and T6 sites are unlikely to be occupied because of less...
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