Lee, Seok-Ho Kim, Sang Yun Almeida, Jose Nuno Ruiz-Martinez, Javier Seo, Myung-gi Chung, Sang-Ho Lee, Byung Jin Lee, Kwan-Young 2026-02-03T09:00:40Z 2026-02-03T09:00:40Z 2026-02-02 2026-01 1385-8947 https://pubs.kist.re.kr/handle/201004/154169 This work introduces a rational approach to enhance methane dehydroaromatization (MDA) by precisely tuning the location of aluminum atoms within the MFI zeolite framework. By employing combinations of tetrapropylammonium cation (TPA+), pentaerythritol (PET), and Na+ ions as structure-directing agents (SDAs), Al atoms were selectively positioned at channel intersections, within straight/sinusoidal channels, or across both environments in the MFI framework. Comprehensive analysis of aluminum site distribution was conducted using 27Al MQ MAS NMR, ion-exchange measurements, and ethylene aromatization as a probe reaction. Following Mo impregnation, the dispersion behavior and reduction characteristics of Mo species were elucidated via XPS, H2-TPR, TEM, and XANES. English Elsevier BV Structure-guided control of Al sites in MFI zeolites: Toward rational catalyst design for efficient methane dehydroaromatization Article 10.1016/j.cej.2025.172228 1 Chemical Engineering Journal, v.528 Chemical Engineering Journal 528 Y scie scopus 001658277000001 2-s2.0-105026285174 Engineering, Environmental Engineering, Chemical Engineering Article INITIO MOLECULAR-DYNAMICS RESOLUTION AL-27 NMR DIRECT CONVERSION FRAMEWORK-AL ACID SITES NONOXIDATIVE CONDITIONS AROMATIC-HYDROCARBONS MO/HZSM-5 CATALYSTS ZSM-5 ZEOLITE ETHYLENE Methane dehydroaromatization Zeolite Structural directing agents Density functional theory