Theory of Epitaxial Growth of Borophene on Layered Electride: Thermodynamic Stability and Kinetic Pathway

Xiaojuan Ni, Huaqing Huang, Kyung-Hwan Jin +2

Based on first-principles calculations, we propose that a layered electride Mg2O can serve as an effective substrate, in place of metal substrate, to grow honeycomb borophene (h-bo…