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Elucidation of the Electrochemical Activation of Water over Pd by First Principles

✍ Scribed by Jean-Sébastien Filhol; Matthew Neurock

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
935 KB
Volume
45
Category
Article
ISSN
0044-8249

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✦ Synopsis

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 Communication by M. Neurock and J.-S. Filhol on the following pages.

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## Abstract The Pd(II)‐2,2′‐bis(diphenylphosphino)‐1,1′‐binaphthyl (BINAP)‐mediated chiral assembly of thioether‐derivatised phthalocyanatomagnesium(II) compounds (MgPc(SR)~8~, SR is benzylthio (SBz) or benzhydrylthio (Bh)) was formed in toluene and at the toluene/water interface, and investigated