Title: The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides

Authors (4): C. D. Zeinalipour-Yazdi, J. S. J. .Hargreaves, S. Laassiri, C. R. A. .Catlow

Themes: Design (2018)

DOI: 10.1039/c8cp04216k

Citations: 28

Pub type: article-journal

Publisher: Royal Society of Chemistry (RSC)

Issue: 34

License: http://creativecommons.org/licenses/by/3.0/

Publication date(s): 2018 (online)

Pages: 21803-21808

Volume: 20 Issue: 34

Journal: Physical Chemistry Chemical Physics

Link: http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP04216K

URL: http://dx.doi.org/10.1039/c8cp04216k

The integration of experimental studies and computational modelling is a powerful approach for the enhanced understanding of ammonia synthesis mechanisms and for the design of new catalysts.

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