Selectivity driven design of bimetallic ethylene epoxidation catalysts from first principles

By S. Linic, J. Jankowiak, M. Barteau. 2004

178 citations recorded by the source corpus.

Subfields: Catalysis, Materials Chemistry, Renewable Energy, Sustainability and the Environment

View Paper: https://www.semanticscholar.org/paper/e683f92f01974507680d5aa029d5341768d97828

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Catalysis

1. Jens K. Nørskov
2. Thomas Bligaard
3. J. Rossmeisl
4. Jeff Greeley

In Materials Chemistry

1. Jens K. Nørskov
2. J. Rossmeisl
3. Thomas Bligaard
4. Jeff Greeley
5. S. Qiao
6. Yao Zheng
7. Y. Jiao
8. B. Roldán Cuenya

In Renewable Energy, Sustainability and the Environment

1. Jens K. Nørskov
2. J. Rossmeisl
3. Thomas Bligaard
4. Jeff Greeley
5. S. Qiao
6. Yao Zheng
7. Y. Jiao
8. M. Jaroniec

Citations in the corpus

• Towards the computational design of solid catalysts. (2009, background): “The difference in energy between these two transition states thus becomes a good descriptor for the selectivity of an EO catalyst, and catalysts, which favour the transition state going towards EO, can be sought computationall”