Articles written in Journal of Chemical Sciences

    • First principles investigation on the applicability of ruthenium as a potential ORR catalyst


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      Exploration of new materials for oxygen reduction reaction has long been a major area of research in heterogeneous catalysis. As the currently available oxygen reduction catalysts have not achieved the optimal efficiency, search for alternative resources is a continuing effort. Realizing the wide acceptance ofruthenium as a promising catalyst for various catalytic reactions, we have investigated the plausibility of Ru to perform in the bulk as well as nanoparticle forms as an efficient oxygen reduction reaction catalyst. Two nanoclusters with face-centred and hexagonal symmetry were scrutinized for ORR activity along with Ru(111) and Ru(0001) surfaces as periodic counterparts and compared the activity with Pt(111) surface. We report here that Ru cannot be an alternative to the Pt-based catalysts owing to a high overpotential

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