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Towards the computational design of solid catalysts.

J. Nørskov, T. Bligaard, J. Rossmeisl, C. Christensen

2009.4.1Nature Chemistry

DOI: 10.1038/nchem.121

tlooto Summary

The first steps towards using computational methods to design new catalysts are reviewed and how, in the future, such methods may be used to engineer the electronic structure of the active surface by changing its composition and structure are discussed.

Abstract

Abstract is not available.

Citation format

NØRSKOV, J., et al. Towards the computational design of solid catalysts. Nature Chemistry, 2009, 1 1: 37–46.