2015
DOI: 10.1002/anie.201506449
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Synthesis, Single‐Crystal Structure and Characterization of (CH3NH3)2Pb(SCN)2I2

Abstract: The perovskite phase (CH3 NH3 )2 Pb(SCN)2 I2 with a structure closely related to the K2 NiF4 -type was identified as the product of the reaction of CH3 NH3 I and Pb(SCN)2 by single-crystal X-ray analysis. This extends the range of suitable dyes for solar cell applications to a class of perovskite-related structures of the general composition (AMX3 )n (AX)m .

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Cited by 135 publications
(142 citation statements)
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“…3e, when the film of FMC with Pb(SCN) 2 is thermally annealed at 100 °C for 10 min, the crystal size approaches 2  μ m while rod-like PbI 2 crystals are also formed and generate more morphological defects, which will severely undermine the charge transport and device performance of perovskite solar cells. Moreover, energy dispersive X-ray (EDX) analysis (Supplementary Figure S1) shows that the atomic weight of sulfur element in FMC with Pb(SCN) 2 is slightly decreased after thermal annealing, indicating that most of SCN − remains, which is in accordance with previous report17252627.…”
Section: Resultssupporting
confidence: 90%
“…3e, when the film of FMC with Pb(SCN) 2 is thermally annealed at 100 °C for 10 min, the crystal size approaches 2  μ m while rod-like PbI 2 crystals are also formed and generate more morphological defects, which will severely undermine the charge transport and device performance of perovskite solar cells. Moreover, energy dispersive X-ray (EDX) analysis (Supplementary Figure S1) shows that the atomic weight of sulfur element in FMC with Pb(SCN) 2 is slightly decreased after thermal annealing, indicating that most of SCN − remains, which is in accordance with previous report17252627.…”
Section: Resultssupporting
confidence: 90%
“…Interestingly, the I 2 ···I – fragment in (IC 6 ) 2 [PbI 4 ]·2I 2 exhibits a similar geometry to the triiodide anion found in CsI 3 , 34 indicating that the inorganic lattice may now be thought to contain axial triiodides bound to the Pb 2+ centers to give the perovskite (IC 6 ) 2 [PbI 2 (I 3 ) 2 ]. Therefore, we post-synthetically access a lead–iodide–triiodide perovskite, which is structurally related to the mixed-ligand 2D perovskites (H 3 N(CH 2 ) 8 NH 3 ) 2 [(Au I I 2 )(Au III I 4 )(I 3 ) 2 ] 35 and (CH 3 NH 3 ) 2 [PbI 2 (SCN) 2 ] 36 and the 1D structure (H 3 N(CH 2 ) 2 SS(CH 2 ) 2 NH 3 ) 4 [Pb 3 I 14 ]·I 2 (ref. 37) that contains I 2 molecules interacting with the lead–iodide chains.…”
Section: Resultsmentioning
confidence: 99%
“…29,30 Some other reports proposed that layered MA2Pb(SCN)2I2 would be formed rather than three dimension MAPbI3-x(SCN)x, whose XRD patterns are quite different from ours. 31,32 To make sure whether NH4SCN acts as a volatile additive, we tested the Fourier transform infrared spectra of perovskite materials with and without NH4SCN (Fig. S1).…”
Section: Introductionmentioning
confidence: 99%