Journal article
Descriptor‐Based Analysis Applied to HCN Synthesis from NH3 and CH4
In
Angewandte Chemie International Edition
—
2011, Volume 50, Issue 20, pp. 4601-4605
Abstract
A trendy volcano: By the example of HCN synthesis from NH3 and CH4, it is demonstrated how scaling relations for intermediates and transition states provide a basis for the prediction of trends in heterogeneous catalysis (see logarithmic turnover frequency, TOF). These trends include not only the activity but also selectivity and the dominant reaction mechanism.
This general approach can be applied to a large number of catalytic systems.
| Language: | English |
|---|---|
| Publisher: | WILEY‐VCH Verlag |
| Year: | 2011 |
| Pages: | 4601-4605 |
| ISSN: | 15213773 and 14337851 |
| Types: | Journal article |
| DOI: | 10.1002/anie.201100353 |
| ORCIDs: | Bligaard, Thomas |
