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- W2884646590 abstract "Abstract The electronic properties of NiO (1 1 0)/MAPbI3 (1 0 0) interface are investigated by the first-principles calculations. The NiO (1 1 0)/MAPbI3 (1 0 0) interfacial lattice mismatch is 7.3%. The binding energy of the NiO (1 1 0)/MAPbI3 (1 0 0) interface is −0.059 J/m2, and the atoms bonding is irregular at the interface. There are some interface states nearby the NiO (1 1 0)/MAPbI3 (1 0 0) interface. Interface states of the NiO (1 1 0)/MAPbI3 (1 0 0) interface mainly are attributed to I-5p, O-2p and Ni-3d orbitals on the MAPbI3 (1 0 0) layer1 and NiO (1 1 0) layer1." @default.
- W2884646590 created "2018-08-03" @default.
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- W2884646590 date "2018-09-01" @default.
- W2884646590 modified "2023-10-08" @default.
- W2884646590 title "Electronic properties of NiO (1 1 0)/CH3NH3PbI3 (1 0 0) interface from the first-principles calculations" @default.
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- W2884646590 doi "https://doi.org/10.1016/j.cplett.2018.07.047" @default.
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