Density-functional theory characterization of acid sites in chabazite

Journal of Catalysis

Volumn 227, Issue 1, 2004, Pages 77-89

  Lo, Cynthia ^a   Trout, Bernhardt L ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Ab initio; Acid strength; Acid site concentration; Acid site homogeneity; Base adsorption; Chabazite; Density functional theory; Periodic boundary conditions; Silanol; Zeolite

Indexed keywords

ALUMINUM; BASE; OXYGEN; PROTON; ZEOLITE;

AB INITIO CALCULATION; ACIDITY; ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS;

EID: 4344680319     PISSN: 00219517     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jcat.2004.06.018     Document Type: Article

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