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Updated: Sep 23, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Electrocatalytic oxidation of water at a polyoxometalate nanoparticle modified gold electrode
Abhinandan Mahanta1, Koushik Barman1,2, Sk Jasimuddin1
1Department of Chemistry, Assam University Silchar Assam-788011 India sk.jasimuddin@aus.ac.in.
Abstract:
Spherical polyoxometalate nanoparticles, [HPMo]NPs, were synthesized from a very well known Keggin-type polyoxometalate [H3PMo12O40] in the presence of sodium dodecyl sulphate (SDS) and polyvinyl pyrrolidine (PVP) in aqueous medium and characterized by UV-Vis spectroscopy and Transmission Electron Microscopy (TEM). The [HPMo]NPs were used to modify a gold working electrode and they were characterized by SEM, EDX, elemental mapping, cyclic voltammetry and electrochemical impedance spectroscopy and applied for the electrocatalytic oxidation of water in a phosphate buffer solution at neutral pH. The modified electrode showed excellent electrocatalytic activity towards oxidation of water at an impressively low overpotential ∼350 mV with a high current density of around 1.7 mA cm-2, good stability under exhaustive electrolysis conditions and also showed long term stability.
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