Scaling of Transition State Vibrational Frequencies and Application of d-Band Theory to the Brønsted–Evans–Polanyi Relationship on Surfaces-Reference-Cited by-同舟云学术

Scaling of Transition State Vibrational Frequencies and Application of d-Band Theory to the Brønsted–Evans–Polanyi Relationship on Surfaces

Published:2021-02-08 Issue:13 Volume:125 Page:7119-7129
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Lansford Joshua L.¹,Kurdziel Sophia J.¹,Vlachos Dionisios G.¹²^ORCID

Affiliation:

1. Department of Chemical and Biomolecular Engineering, University of Delaware, 150 Academy Street, Newark, Delaware 19716, United States

2. Catalysis Center for Energy Innovation, RAPID Manufacturing Institute, Delaware Energy Institute (DEI), University of Delaware, 221 Academy Street, Newark, Delaware 19716, United States

Funder

University of Delaware

U.S. Department of Energy

National Science Foundation

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/acs.jpcc.0c09686

Reference44 articles.

1. Some Relations between Reaction Rates and Equilibrium Constants.

2. Linear Free Energy Relationships in Kinetic Analyses: Applications of Quantum Chemistry

3. A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior

4. Electronic Factors Governing Ethylene Hydrogenation and Dehydrogenation Activity of Pseudomorphic PdML/Re(0001), PdML/Ru(0001), Pd(111), and PdML/Au(111) Surfaces

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