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    A preliminary study of the electro-catalytic reduction of oxygen on Cu-Pd alloys in alkaline solution

    , Article Journal of Electroanalytical Chemistry ; Volume 647, Issue 1 , 2010 , Pages 66-73 ; 15726657 (ISSN) Gobal, F ; Arab, R ; Sharif University of Technology
    2010
    Abstract
    Copper-palladium alloys of different compositions are electrodeposited on nickel from aqueous solutions. These alloys are characterized by scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDX). The catalytic activity of these alloys toward oxygen reduction reaction (ORR) in alkaline solution is investigated using rotating disk electrode (RDE). The number of electrons transferred per O2 molecule (n) obtained at different potentials is close to 2 at low overpotential indicating HO2- formation and gradually increases to 4 at higher overpotentials indicating full reduction to OH-. It is shown that Cu-Pd alloys are better electrocatalysts than Pd with Pd-Cu-1 having 24.5%... 

    Theoretical study of solvent and substituent effects on the reactions of 1,4-benzoquinone with cyclopentadiene and cyclohexadiene

    , Article Progress in Reaction Kinetics and Mechanism ; Volume 33, Issue 2 , 2008 , Pages 191-206 ; 14686783 (ISSN) Haqghu, M ; Irani, M ; Gholami, M. R ; Sharif University of Technology
    2008
    Abstract
    Ab initio quantum mechanics and ONIOM calculations were used to study solvent and substituent effects on the reactions of 1,4-benzoquinone with cyclopentadiene and cyclohexadiene derivatives in tetrahydrofuran and greater water solvents. These calculations revealed (i) that increasing the number of electron donating methyl group substituents and (ii) the proximity of substituents to the reacting carbons (carbon atoms which contribute to the forming C-C bonds) on the diene, promote charge transfer from the diene to the dienophile in the transition state. © 2008 Science Reviews 2000 Ltd. These effects increase the negative charge on the oxygen atoms, destabilize the transition state in the...