Tuning bandgap and energy stability of Organic-Inorganic halide perovskites through surface engineering
نویسندگان
چکیده
Organohalide perovskite with a variety of surface structures and morphologies have shown promising potential owing to the choice type heterostructure dependent stability. We systematically investigate discuss impact 2-dimensional molybdenum-disulphide (MoS2), molybdenum-diselenide (MoSe2), tungsten-disulphide (WS2), tungsten-diselenide (WSe2), boron-nitiride (BN) graphene monolayers on bandgap energy stability organic–inorganic halide perovskites. found that MAPbI3 deposited BN-ML shows room temperature (-25 meV ? 300 K) an optimal 1.68 eV. The calculated absorption coefficient also lies in visible-light range maximum 4.9 × 104 cm?1 achieved at 2.8 eV photon energy. On basis our calculations, we suggest encapsulation by semiconducting potentially provides greater flexibility for tuning bandgap.
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ژورنال
عنوان ژورنال: Computational Materials Science
سال: 2022
ISSN: ['1879-0801', '0927-0256']
DOI: https://doi.org/10.1016/j.commatsci.2022.111649