Determining the Catalytic Properties of a Material Using Relative Bond Strength

Main Article Content

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

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.

Keywords:
Fuel cell, catalyst, bond length, bond strength, relative bond strength, DFT, geometry optimization

Article Details

How to Cite
A. Miswan, M., Gopir, G., M. Anas, M., & M. A. Wan Mohd Kamil, W. (2017). Determining the Catalytic Properties of a Material Using Relative Bond Strength. Asian Journal of Chemical Sciences, 2(3), 1-13. https://doi.org/10.9734/AJOCS/2017/33676
Section
Original Research Article