Design and optimization of electrode materials based on biphenyl carbene nanotubes for proton exchange membrane fuel cell cathode
Based on the model construction of cathode catalyst,the diameter selection of biphenyl carbene nanotubes and the calculation and analysis of data,the biphenyl carbene nanotubes with the highest comprehensive catalytic activity were chosen.From the selection of different sizes of biphenyl carbene nanotubes,to the calculation and analysis of energy,and the adsorption performance of various mod-els for oxygenic species were studied.The results show that the size of the biphenyl carbene nanotubes is a very important factor affect-ing the catalytic performance of the proton exchange membrane cathode electrode material.With the increase of the size of biphenyl car-bene nanotubes,the overpotential of biphenyl carbene nanotubes decreases first and then increases,while the working potential corre-spondingly increases first and then decreases.When BPNT(4,0)is reached,the minimum overpotential of BPNT(4,0)is 0.51 V and the working potential is 0.72 V,and its catalytic activity can be predicted to be the best.The results provide important reference for the design of carbon-based oxygen reduction catalytic materials.
万方数据
维普
