Identifying Upper d-Band Edge as Activity Descriptor for Ammonia Oxidation on PtCo Alloys in Low-Temperature Direct Ammonia Fuel Cells

Low-temperature direct ammonia fuel cell (DAFC) stands out as a more secure technology than the hydrogen fuel cell system, while there is still a lack of elegant bottom-up synthesis procedures for efficient ammonia oxidation reaction (AOR) electrocatalysts. The widely accepted d-band center, even with consideration of the d-band width, usually fails to describe variations in AOR reactivity in many practical conditions, and a more accurate activity descriptor is necessary for a less empirical synthesis path. Herein, the upper d-band edge, εu, derived from the d-band model, is identified as an effective descriptor for accurately establishing the descriptor–activity relationship. Using the PtCo alloy with varying…

• NN
  National Natural Science Foundation of China

  Awards: 12204253, 52401284, U21A20332, 52202275, 52203314
• CI
  Collaborative Innovation Center of Suzhou Nano Science and Technology
• NS
  Natural Science Foundation of Jiangsu Province for Distinguished Young Scholars

  Awards: BK20220061, BK20240957