Density functional theory study of sulfur tolerance of copper : new copper–sulfur phase diagram
We study two possible mechanisms of sulfur (S) poisoning of copper (Cu) surfaces: S adsorption and formation of Cu–S compounds. Based on the performed calculations, we predict new Cu–S phase diagram that not only describes the formation of Cu–S compounds but also predicts a dependence of the transit...
| Main Authors: | , , , , |
|---|---|
| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2013
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| Online Access: | https://hdl.handle.net/10356/96118 http://hdl.handle.net/10220/10812 |