Periodic DFT Calculations of the Stability of Al/Si Substitutions and Extraframework Zn2+ Cations in Mordenite and Reaction Pathway for the Dissociation of H2 and CH4-Reference-Cited by-同舟云学术

Periodic DFT Calculations of the Stability of Al/Si Substitutions and Extraframework Zn2+ Cations in Mordenite and Reaction Pathway for the Dissociation of H2 and CH4

Published:2005-10-04 Issue:43 Volume:109 Page:20361-20369
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Benco L.¹,Bucko T.¹,Hafner J.¹,Toulhoat H.¹

Affiliation:

1. Institut für Materialphysik and Center for Computational Materials Science, Universität Wien, Sensengasse 8, A-1090 Wien, Austria, Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, SK-84536 Bratislava, Slovak Republic, and Institut Français du Pétrole, F-92852 Rueil-Malmaison Cedex, France

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0530597

Reference51 articles.

1. The reaction of propane over ZSM-5-H and ZSM-5-Zn zeolite catalysts

2. Transformation of Lower Alkanes into Aromatic Hydrocarbons over ZSM-5 Zeolites

3. Ethane to Aromatic Hydrocarbons: Past, Present, Future

4. Structure and function of metal cations in light alkane reactions catalyzed by modified H-ZSM5

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