FeC6N monolayer with ideal properties for water splitting

Electrocatalytic water splitting is an environmentally friendly way to prepare hydrogen as alternative energy source to replace fossil fuels. Therefore, the development of high-performance and low-cost catalysts is an urgent need. In the present work, we design two-dimensional catalysts based on earth-abundant elements. Particularly, the FeC6N monolayer with planar 6-coordinated Fe and planar 3-coordinated N shows high structural stability and inherent metallicity. Interestingly, both the Fe and N atoms are catalytically active for hydrogen evolution, resulting in a combined activity comparable to that of Pt. It turns out that this remarkable performance is associated with the 6-coordination of Fe and delocalization of the N lone pair electrons. Overall, the FeC6N monolayer emerges as an ideal catalyst for water splitting.

Automated summary

In this study, a two-dimensional catalyst FeC6N monolayer based on earth-abundant elements was designed. This catalyst showed high structural stability and inherent metallicity. It exhibited comparable catalytic activity to platinum in hydrogen evolution for water splitting, making it an ideal catalyst for alternative energy source.