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Creators/Authors contains: "Yi, Fuzhao"

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  1. ; ; ; ; (, APL Materials)
    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. 
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