Periodic, vdW-corrected density functional theory investigation of the effect of Al siting in H-ZSM-5 on chemisorption properties and site-specific acidity

Catalysis Communications

Volumn 52, Issue , 2014, Pages 98-102

  Ghorbanpour, Arian ^a   Rimer, Jeffrey D ^a   Grabow, Lars C ^a  

^a UNIVERSITY OF HOUSTON   (United States)

Author keywords

Br nsted acid sites; DFT; H ZSM 5; Van der Waals interactions

Indexed keywords

ADSORPTION; ALUMINUM; DENSITY FUNCTIONAL THEORY;

ACID SITE; DFT; DISPERSION INTERACTION; H-ZSM-5; PERIODIC DENSITY FUNCTIONAL THEORY; THEORETICAL INVESTIGATIONS; VAN DER WAALS CORRECTION; VAN DER WAALS INTERACTIONS;

VAN DER WAALS FORCES;

EID: 84901617532     PISSN: 15667367     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.catcom.2014.04.005     Document Type: Article

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