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arXiv · 1810.07297

Tuning Bandgap and Energy Stability of Organic-Inorganic Halide Perovskites through Surface Engineering

Rahul Singh·Prashant Singh·Ganesh Balasubramanian
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Abstract

Organohalide perovskite with a variety of surface structures and morphologies have shown promising potential owing to the choice of the type of heterostructure dependent stability. We systematically investigate and discuss the impact of 2-dimensional molybdenum-disulphide (MoS2), molybdenum-diselenide (MoSe2), tungsten-disulphide (WS2), tungsten-diselenide (WSe2), boron- nitiride (BN) and graphene monolayers on band-gap and energy stability of organic-inorganic halide perovskites. We found that MAPbI3ML deposited on BN-ML shows room temperature stability (-25 meV~300K) with an optimal bandgap of ~1.6 eV. The calculated absorption coefficient also lies in the visible-light range with a maximum of 4.9 x 104 cm-1 achieved at 2.8 eV photon energy. On the basis of our calculations, we suggest that the encapsulation of an organic-inorganic halide perovskite monolayers by semiconducting monolayers potentially provides greater flexibility for tuning the energy stability and the bandgap.

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Rahul Singh, Prashant Singh, Ganesh Balasubramanian. 2018-10-16. Tuning Bandgap and Energy Stability of Organic-Inorganic Halide Perovskites through Surface Engineering. https://doi.org/10.1016/j.commatsci.2022.111649

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