A Density Functional Theory Study of Molecular and Dissociative Adsorption of H2 on Active Sites in Mordenite-Reference-Cited by-同舟云学术

A Density Functional Theory Study of Molecular and Dissociative Adsorption of H2 on Active Sites in Mordenite

Published:2005-11-04 Issue:47 Volume:109 Page:22491-22501
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-84236 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/jp0533729

Reference42 articles.

1. Ab Initio Simulation of Lewis Sites in Mordenite and Comparative Study of the Strength of Active Sites via CO Adsorption

2. Haag. W. O.; Dessau, R. M.Proceedings of the 8th International Congresson Catalysis; Verlag Chemie: Weinheim, 1984; Vol. 2, p 305.

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