Using scaling relations to understand trends in the catalytic activity of transition metals
Authors:
- T BligaardTBT Bligaard
- F Abild-PedersenFAF Abild-Pedersen
- J K NørskovJNJ K Nørskov
- 24 January 2008
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 20 (6) , 064239
Abstract
A method is developed to estimate the potential energy diagram for a full catalytic reaction for a range of late transition metals on the basis of a calculation (or an experimental determination) for a single metal. The method, which employs scaling relations between adsorption energies, is illustrated by calculating the potential energy diagram for the methanation reaction and ammonia synthesis for 11 different metals on the basis of results calculated for Ru. It is also shown that considering the free energy diagram for the reactions, under typical industrial conditions, provides additional insight into reactivity trends.Keywords
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