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Alloy Catalysts Designed from First Principles.

โœ Scribed by Jeff Greeley; Manos Mavrikakis


Publisher
John Wiley and Sons
Year
2005
Weight
7 KB
Volume
36
Category
Article
ISSN
0931-7597

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โœ Roman V. Chepulskii; Stefano Curtarolo ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 739 KB

We present an approach to calculate the atomic bulk solubility in binary alloys based on the statistical-thermodynamic theory of dilute lattice gas. The model considers all the appropriate ground states of the alloy and results in a simple Arrhenius-type temperature dependence determined by a ''low-