DFT calculations have been performed to investigate the effect of dielectric responses of the solvent environment on the CO adsorption over CuCl(1 1 1) surface by using COSMO (conductor-like solvent model) model in Dmol 3 . Different dielectric constants, including vacuum, liquid paraffin, methylene
β¦ LIBER β¦
Surface properties of copper in different solvent mother solutions: A density functional theory study
β Scribed by Zhijun Zuo; LuLu Sun; Wei Huang; Peide Han; Zhihong Li
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 453 KB
- Volume
- 375
- Category
- Article
- ISSN
- 0926-860X
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