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- W2890730979 abstract "By means of density functional theory computations, we comprehensively investigated the stability and electronic properties of the hybrid CH3NH3PbI3 (methylammonium lead iodide, MAPI)/graphene heterojunctions, where the MAPI layer was adopted with MAI (methylammonium iodide)-terminations. Our computations demonstrated that the σ–π interfacial interactions make the contact very stable, and such interactions lead to charge redistribution and concomitant internal electric field in the interface, which is beneficial for the electron-hole separation." @default.
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- W2890730979 date "2018-09-12" @default.
- W2890730979 modified "2023-10-14" @default.
- W2890730979 title "Modulating the electronic properties of perovskite via σ–π interfacial interactions: A computational study" @default.
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- W2890730979 doi "https://doi.org/10.1063/1.5044453" @default.
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