| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5361206 | Applied Surface Science | 2012 | 4 Pages |
Abstract
⺠DFT-COSMO method was used to examine H2 adsorption on Cu(h k l) surface. ⺠H2 can not be parallel adsorbed on Cu(h k l) surface and only vertical adsorption in gas phase. ⺠Solvent effects improve the ability of H2 activation when H2 vertically adsorb on Cu(h k l) surface. ⺠H-H bond of H2 parallel adsorption on Cu(h k l) surface is broken spontaneously due to solvent effects.
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Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Zhijun Zuo, Wei Huang, Peide Han,