A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals-Reference-Cited by-同舟云学术

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A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals

Published:2015-10 Issue: Volume:640 Page:36-44
ISSN:0039-6028
Container-title:Surface Science
language:en
Short-container-title:Surface Science

Author:

Wellendorff Jess,Silbaugh Trent L.,Garcia-Pintos Delfina,Nørskov Jens K.,Bligaard Thomas,Studt Felix,Campbell Charles T.

Funder

U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences

National Science Foundation under SusChEM

Publisher

Elsevier BV

Subject

Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics

Reference87 articles.

1. Perspective on density functional theory

2. Assessing the reliability of calculated catalytic ammonia synthesis rates

3. Enthalpies and Entropies of Adsorption on Well-Defined Oxide Surfaces: Experimental Measurements

4. n-alkanes on MgO(100). I. Coverage-dependent desorption kinetics of n-butane

5. Extraction of kinetic parameters in temperature programmed desorption: A comparison of methods

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