Selective CO2 reduction on topological Chern magnet TbMn6Sn6

Abstract

As a new type of topological magnet, TbMn₆Sn₆ has a planar Mn kagome lattice with out-of-plane magnetic moments. Previous studies have found spin-polarized Chern gapped Dirac fermions in TbMn₆Sn₆, which are advantageous to topological catalysis. In this study, we theoretically demonstrate that the TbMn₆Sn₆ (001) surface is favorable for CO₂ reduction. The stability of different surface types is investigated, and then the reaction paths of CO₂ reduction on the surfaces are revealed to prove that the product is selective. This work reveals the effect of magnetic topological materials on CO₂ reduction.