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Nanostructured Electrocatalysts for Oxygen Reduction Reaction: First-Principles Computational Insights

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Electrocatalysis in Fuel Cells

Part of the book series: Lecture Notes in Energy ((LNEN,volume 9))

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Abstract

The goal of catalyst development is to be able to adjust the structure and composition of catalytic materials to obtain the optimal electronic properties for desired chemical reactivity. Key features of the electronic structure that influence the reactivity of nanostructured catalysts are reviewed. Conclusions derived from the DFT electronic structure and the surface reactivity computations, with emphasis on the catalyst property intrinsically governed by the local, site-specific interactions, for nanostructured catalysts are presented.

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    Amra Peles

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    Minhua Shao

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Peles, A. (2013). Nanostructured Electrocatalysts for Oxygen Reduction Reaction: First-Principles Computational Insights. In: Shao, M. (eds) Electrocatalysis in Fuel Cells. Lecture Notes in Energy, vol 9. Springer, London. https://doi.org/10.1007/978-1-4471-4911-8_21

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