Exceptional Optoelectronic Properties of Hydrogenated Bilayer Silicene

Exceptional Optoelectronic Properties of Hydrogenated Bilayer Silicene

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Silicon is arguably the best electronic material, but it is not a good optoelectronic material.By employing first-principles calculations and the cluster-expansion approach, we discover that hydrogenated bilayer silicene (BS) shows promising potential as a new kind of optoelectronic material.Most significantly, gtech brush bar hydrogenation converts the intrinsic BS, a strongly indirect semiconductor, into a direct-gap semiconductor with a widely tunable band gap.At low hydrogen concentrations, four ground states of single- and double-sided hydrogenated BS are characterized by dipole-allowed direct (or quasidirect) band gaps in the desirable range from 1 to 1.5 eV, suitable for solar applications.

At high hydrogen concentrations, three well-ordered double-sided hydrogenated BS structures exhibit direct (or quasidirect) band gaps in the color range of red, green, and blue, affording white light-emitting diodes.Our findings harry potter magsafe case open opportunities to search for new silicon-based light-absorption and light-emitting materials for earth-abundant, high-efficiency, optoelectronic applications.