The platinum (Pt) degradation, poisoning and carbon corrosion in acidic fuel cell has led to explore the research in alkaline fuel cell. However, the high cost of Pt has brought a lot of studies to find replacement for Pt catalyst. Due to that, silver metal is selected as non-Pt catalyst and supported by the nitrogen and phosphorus-doped on graphene for oxygen reduction reaction in alkaline medium. The adsorption energy and mechanism of the oxygen reduction reaction is studied by using density functional theory (DFT) calculation. The support catalyst of graphene is doped with three atom nitrogen and phosphorus namely as N3 and P3, respectively. The Ag supported on N3 and P3 are tested on O2, OOH, O and OH species. There are two types adsorption of O2 on N3 and P3 which is side and end-on adsorption configuration. The N3-Ag has similar adsorption energy for both configurations, but P3-Ag has low adsorption energy by end-on adsorption configuration. The effect of doped atoms on graphene also have been tested on O2, OOH, O and OH species. The result shows that increasing nitrogen doping atom has decreased the adsorption energy of O2 and vice versa on phosphorus atoms. A single phosphorus doping atom on graphene has shown the lowest adsorption energy, but the end-on configuration of P3-Ag has shown most stable adsorption. The schematic free energy profile shows that both N3-Ag and P3-Ag have high possibilities to be followed in oxygen reduction reaction mechanism but P3-Ag has advantage due to stable adsorption as non-Pt catalyst. The Ag metal supported on nitrogen and phosphorus-doped graphene show promising result to be a catalyst in alkaline fuel cell.
Capture of toxic gases in MOFs: SO2, H2S, NH3 and NOx
