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Research Article Open access CC BY 4.0

Determining the Catalytic Properties of a Material Using Relative Bond Strength

M. A. Miswan, G. Gopir, M. M. Anas, W. M. A. Wan Mohd Kamil

Asian Journal of Chemical Sciences · pp. 1–13 · Published 19 May 2017

10.9734/AJOCS/2017/33676

Abstract

Fuel cells are one of the most promising renewable energy sources. However, they are relatively expensive due to their use of platinum, a precious metal, as the catalyst. Much research has been conducted with the aim of optimizing fuel cell efficiency, including identifying alternative catalysts. In this study, we propose a new parameter known as relative bond strength as an indicator for the catalytic properties of a material. Relative bond strength is calculated based upon the relationship between bond length and bond strength. The results of this study provide evidence for the viability of this parameter through computational calculation involving different types of materials and cluster sizes.

Fuel cell catalyst bond length bond strength relative bond strength DFT geometry optimization

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