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Perspectives on the First Principles Elucidation and the Design of Active Sites

✍ Scribed by Matthew Neurock

Publisher
John Wiley and Sons
Year
2003
Weight
50 KB
Volume
34
Category
Article
ISSN
0931-7597

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πŸ“œ SIMILAR VOLUMES

Elucidation of the Electrochemical Activ
Elucidation of the Electrochemical Activation of Water over Pd by First Principles
✍ Jean-SΓ©bastien Filhol; Matthew Neurock πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 935 KB

Ab initio predictions have been used to follow the changes in the structure and reactivity of the water/metal interface as a function of applied potential. The results provide an electrochemical phase diagram for water over Pd(111) derived from first principles. For more information see the Communic