From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

Medford, Andrew J.; Vojvodic, Aleksandra; Hummelshøj, Jens S.; Voss, Johannes; Abild-Pedersen, Frank; Studt, Felix; Bligaard, Thomas; Nilsson, Anders; Nørskov, Jens K.

doi:10.1016/j.jcat.2014.12.033

Title: From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

Full Record
Other Related Research

Authors:: Medford, Andrew J.; Vojvodic, Aleksandra; Hummelshøj, Jens S.; Voss, Johannes; Abild-Pedersen, Frank; Studt, Felix; Bligaard, Thomas; Nilsson, Anders; Nørskov, Jens K.

Publication Date:: Sat Aug 01 00:00:00 EDT 2015

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1244560

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Catalysis

Additional Journal Information:: Journal Name: Journal of Catalysis Journal Volume: 328 Journal Issue: C; Journal ID: ISSN 0021-9517

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Citation Formats


                    Medford, Andrew J., Vojvodic, Aleksandra, Hummelshøj, Jens S., Voss, Johannes, Abild-Pedersen, Frank, Studt, Felix, Bligaard, Thomas, Nilsson, Anders, and Nørskov, Jens K. From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis.  United States: N. p., 2015. 
Web.  doi:10.1016/j.jcat.2014.12.033.

Copy to clipboard


                    Medford, Andrew J., Vojvodic, Aleksandra, Hummelshøj, Jens S., Voss, Johannes, Abild-Pedersen, Frank, Studt, Felix, Bligaard, Thomas, Nilsson, Anders, & Nørskov, Jens K. From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis.  United States.  https://doi.org/10.1016/j.jcat.2014.12.033

Copy to clipboard


                    Medford, Andrew J., Vojvodic, Aleksandra, Hummelshøj, Jens S., Voss, Johannes, Abild-Pedersen, Frank, Studt, Felix, Bligaard, Thomas, Nilsson, Anders, and Nørskov, Jens K. Sat .  
"From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis".  United States.  https://doi.org/10.1016/j.jcat.2014.12.033.

Copy to clipboard


                    
@article{osti_1244560,

  title        = {From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis},

  author       = {Medford, Andrew J. and Vojvodic, Aleksandra and Hummelshøj, Jens S. and Voss, Johannes and Abild-Pedersen, Frank and Studt, Felix and Bligaard, Thomas and Nilsson, Anders and Nørskov, Jens K.},

  abstractNote = {},

  doi          = {10.1016/j.jcat.2014.12.033},

  journal      = {Journal of Catalysis},

  number       = C,

  volume       = 328,

  place        = {United States},

  year         = {Sat Aug 01 00:00:00 EDT 2015},

  month        = {Sat Aug 01 00:00:00 EDT 2015}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1016/j.jcat.2014.12.033

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 847 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

Journal Article Medford, Andrew J. ; Vojvodic, Aleksandra ; Hummelshøj, Jens S. ; ... - Journal of Catalysis
https://doi.org/10.1016/j.jcat.2014.12.033
From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

Journal Article Medford, Andrew J. ; Vojvodic, Aleksandra ; Hummelshøj, Jens S. ; ... - Journal of Catalysis
https://doi.org/10.1016/j.jcat.2014.12.033
Towards Realistic Models of Heterogeneous Catalysis: Simulations of Oxidation Catalysis from First Principles

Technical Report Schneider, William F.

Among the most significant developments in heterogeneous catalysis in the last 20 years is the emergence of microkinetic models, often parameterized from density functional theory (DFT) calculations, used to quantify observed catalyst performance and to guide the discovery of new catalytic materials. While DFT directly reports binding energies and elementary step activation energies, the free energies that enter into microkinetic models must be computed from additional approximations. Frequently these free energy approximations assume ideal behavior—that adsorbates do not interact with one another, or that adsorbates are immobile or vibrate harmonically about a binding site. These assumptions can and do havemore »« less
https://doi.org/10.2172/1835236

Full Text Available
Application of a new informatics tool in heterogeneous catalysis: Analysis of methanol dehydrogenation on transition metal catalysts for the production of anhydrous formaldehyde

Journal Article Lausche, Adam C. ; Hummelshøj, Jens S. ; Abild-Pedersen, Frank ; ... - Journal of Catalysis
https://doi.org/10.1016/j.jcat.2012.04.017
Metal-surface reaction energetics. Theory and application to heterogeneous catalysis, chemisorption, and surface diffusion

Book Shustorovich, E

The title is esoteric. The subtitle is specialized. This is an edited book containing five chapters written by eight authors. It is not a book to read from beginning to end, but kept perusing this handsomely printed and well-edited volume, learned so much that he wishes to convey his message to a small but very successful group of chemists and chemical engineers in heterogeneous catalysis: there is a lot to learn in this book, not so much in theory but in the facts that the theorists who wrote the book are trying to explain today with the faint hope thatmore »« less

Similar Records