exercises:2017_ethz_mmm:c2h2_pdga
This is an old revision of the document!
Adsorption of C2H2 on PdGa(111)
In this exercise you will compute the adsorption energy of acetylene on a intermetallic catalyst. This process is important during the production of polyethylene, and the system is described in this paper: 10.1021%2Fja505936b
exercises/2017_ethz_mmm/c2h2_pdga.1493968048.txt.gz · Last modified: 2020/08/21 10:15 (external edit)