| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5355695 | Applied Surface Science | 2011 | 10 Pages |
Abstract
⺠Build the model of NiCo (1 1 1) slab. ⺠Obtain the stable adsorption configuration of CHx (x = 0-4). ⺠Search transition states and calculate the reaction barriers in CH4 dissociation. ⺠Give the reasons to carbon form on NiCo (1 1 1). ⺠Dissociation of CHx prefers not to the top of Ni, but to the top of Co.
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Authors
Hongyan Liu, Riguang Zhang, Ruixia Yan, Baojun Wang, Kechang Xie,