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...

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Bibliographic Details
Main Authors: Malyi, Oleksandr I., Kulish, Vadym V., Bai, Kewu, Wu, Ping, Chen, Zhong
Other Authors: School of Materials Science & Engineering
Format: Article
Language:English
Published: 2013
Online Access:https://hdl.handle.net/10356/96118
http://hdl.handle.net/10220/10812
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Institution: Nanyang Technological University
Language: English
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