Tuning Bandgap and Energy Stability of Organic-Inorganic Halide Perovskites through Surface Engineering. (arXiv:1810.07297v1 [physics.app-ph])

//Tuning Bandgap and Energy Stability of Organic-Inorganic Halide Perovskites through Surface Engineering. (arXiv:1810.07297v1 [physics.app-ph])

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.

Published in: "arXiv Material Science".

2018-10-18T02:29:28+00:00October 18th, 2018|Categories: Publications|Tags: , , , , , , |
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