Determining the Catalytic Properties of a Material Using Relative Bond Strength
M. A. Miswan *
School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor, Malaysia
G. Gopir
School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor, Malaysia
M. M. Anas
Tamhidi Centre, Universiti Sains Islam Malaysia, Bandar Baru Nilai, 71800 Nilai, Negeri Sembilan, Malaysia
W. M. A. Wan Mohd Kamil
School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor, Malaysia
*Author to whom correspondence should be addressed.
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