Pressure-Induced Structural Evolution and Band Gap Shifts of Organometal Halide Perovskite-Based Methylammonium Lead Chloride

Abstract

Organometal halide perovskites are promising materials for optoelectronic devices. Further development of these devices requires a deep understanding of their fundamental structure-property relationships. The effect of pressure on the structural evolution and band gap shifts of methylammonium lead chloride (MAPbCl) was investigated systematically. Synchrotron X-ray diffraction and Raman experiments provided structural information on the shrinkage, tilting distortion, and amorphization of the primitive cubic unit cell. In situ high pressure optical absorption and photoluminescence spectra manifested that the band gap of MAPbCl could be fine-tuned to the ultraviolet region by pressure. The optical changes are correlated with pressure-induced structural evolution of MAPbCl, as evidenced by band gap shifts. Comparisons between Pb-hybrid perovskites and inorganic octahedra provided insights on the effects of halogens on pressure-induced transition sequences of these compounds. Our results improve the understanding of the structural and optical properties of organometal halide perovskites.

Large Band Gap Narrowing and Prolonged Carrier Lifetime of (C4H9NH3)2PbI4 under High Pressure

“…[12] The hydrophobic molecules in the organic layers effectively improve the moisture resistance compared to the 3D perovskite, which solves the main obstacle of 3D OIHPs. [21][22][23][24][25] For example, Wang et al studied the structural transition and photoresponse of CH 3 NH 3 PbBr 3 (MAPbBr 3 ) under pressure. [15,16] The alternating layers of 2D lead-halide perovskites induce an exceptionally large exciton binding energy [15,17] and a wide band gap in contrast to 3D lead-halide perovskites, which limits its optical performance.…”

“…[23] Lv et al found that the structural stability and photoresponsiveness of CH 3 NH 3 SnI 3 enhanced after pressureinduced amorphization and recrystallization. [23] Lv et al found that the structural stability and photoresponsiveness of CH 3 NH 3 SnI 3 enhanced after pressureinduced amorphization and recrystallization.…”

“…[21][22][23]25,48] However, due to their low structural stability, the enhancement is limited. [21][22][23]25,48] However, due to their low structural stability, the enhancement is limited.…”

Materials under pressure

“…25 First, the pressure-induced variation of the properties of hybrid perovskites for solar-energy cells (see also MRS Bulletin, May 2014 26 and August 2015 27 ) are illustrated and discussed in parallel with the chemically induced changes that occur by substituting different halides or organic ligands. [28][29][30] The authors illustrate how the bandgap and carrier lifetime-both critical for solar application-could be influenced by substitution or by substrate selection, thus suggesting new (potentially pressure-influenced) directions of approach to longstanding issues. The second class of materials are manganites, which show exceptional magnetic and electronic functional diversity.…”

High‐Pressure Band‐Gap Engineering and Metallization in the Perovskite Derivative Cs3Sb2I9

“…[28] Therefore, we performed high-pressureR amane xperiments on the Cs 3 Sb 2 I 9 crystals to effectively track the evolution of the vibrational modes of [Sb 2 I 9 ] 3À octahedra. [28] Therefore, we performed high-pressureR amane xperiments on the Cs 3 Sb 2 I 9 crystals to effectively track the evolution of the vibrational modes of [Sb 2 I 9 ] 3À octahedra.…”