Computational investigation of two-dimensional borides with planar octacoordinated main group elements
2021
In this communication, by means of first principles calculations, we searched stable two-dimensional borides with octacoordinated main group elements, and we found that only AlB4 monolayer is stable in the planar octacoordinate motif through our stability screenings, which can be used for electrocatalyzing the hydrogen evolution reaction.
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