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- W2768062482 abstract "We investigated electron injection rates and vacancy defect properties by performing first-principles calculations on the interface of an anatase-TiO2(001) and a tetragonal CH3NH3PbI3(110) (MAPbI3(110)). We found that the coupling matrix element between the lowest unoccupied molecular orbital of MAPbI3 and the TiO2 conduction band (CB) minimum is negligibly small, the indication being that electron-injection times for low-energy excited states are quite long (more than several tens of picoseconds). We also found that higher-lying CB states coupled more strongly; injection was expected to take place on a femtosecond time scale. Furthermore, we found that vacancy defects in the TiO2 layer produced undesired defect levels that caused hole traps and recombination centers. Whereas most of the vacancy defects in the MAPbI3 layer produced no additional states in the MAPbI3 gap, a Pb vacancy (VPb) at the interface created an energy level below the MAPbI3 CB edge and had a lower energy of formation than the VPb defect in bulk because of the interaction with the TiO2 surface." @default.
- W2768062482 created "2017-11-17" @default.
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- W2768062482 date "2017-11-16" @default.
- W2768062482 modified "2023-10-17" @default.
- W2768062482 title "First-Principles Study of Electron Injection and Defects at the TiO2/CH3NH3PbI3 Interface of Perovskite Solar Cells" @default.
- W2768062482 cites W1766513776 @default.
- W2768062482 cites W1819923046 @default.
- W2768062482 cites W1876467593 @default.
- W2768062482 cites W1927627425 @default.
- W2768062482 cites W1965464747 @default.
- W2768062482 cites W1966156734 @default.
- W2768062482 cites W1975628207 @default.
- W2768062482 cites W1979086238 @default.
- W2768062482 cites W1981368803 @default.
- W2768062482 cites W1981814213 @default.
- W2768062482 cites W1994653255 @default.
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- W2768062482 cites W2004736180 @default.
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- W2768062482 cites W2022041256 @default.
- W2768062482 cites W2028056984 @default.
- W2768062482 cites W2030582590 @default.
- W2768062482 cites W2033656168 @default.
- W2768062482 cites W2037717678 @default.
- W2768062482 cites W2039213275 @default.
- W2768062482 cites W2044994077 @default.
- W2768062482 cites W2051196502 @default.
- W2768062482 cites W2051840604 @default.
- W2768062482 cites W2054093403 @default.
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- W2768062482 cites W2134917423 @default.
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- W2768062482 cites W2325663311 @default.
- W2768062482 cites W2331511205 @default.
- W2768062482 cites W2332355916 @default.
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- W2768062482 cites W2413861727 @default.
- W2768062482 cites W2417353325 @default.
- W2768062482 cites W2473581447 @default.
- W2768062482 cites W2519266090 @default.
- W2768062482 cites W2521385727 @default.
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- W2768062482 doi "https://doi.org/10.1021/acs.jpclett.7b02622" @default.
- W2768062482 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29129082" @default.
- W2768062482 hasPublicationYear "2017" @default.
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