DFT+U Investigation of Propene Oxidation over Bismuth Molybdate: Active Sites, Reaction Intermediates, and the Role of Bismuth-Reference-Cited by-同舟云学术

DFT+U Investigation of Propene Oxidation over Bismuth Molybdate: Active Sites, Reaction Intermediates, and the Role of Bismuth

Published:2013-03-29 Issue:14 Volume:117 Page:7123-7137
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Getsoian Andrew “Bean”¹,Shapovalov Vladimir¹,Bell Alexis T.¹

Affiliation:

1. Department of Chemical and Biomolecular Engineering, The University of California Berkeley, 201 Gilman Hall, Berkeley, California 94720-1462, United States

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp400440p

Reference93 articles.

1. Investigation of the mechanism of catalytic oxidation of propylene to acrolein and acrylonitrile*1

2. Mechanism studies of the catalytic oxidation of propylene

3. Active sites for reactions of olefin molecules at surfaces of molybdate catalysts

4. Aspects of selective oxidation and ammoxidation mechanisms over bismuth molybdate catalysts *1II. Allyl alcohol as a probe for the allylic intermediate

5. Interaction of allyl iodide with molybdate catalysts for the selective oxidation of hydrocarbons

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