See all entries for this property (7 total)
Crystal system: cubic
| a: | 5.714 (±0.003) Å |
| b: | 5.714 (±0.003) Å |
| c: | 5.714 (±0.003) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Starting materials: MACl (TCI, >98.0%), PbCl2 (Aldrich, 98.0%), dimethyl sulfoxide (DMSO) (Wako), and N, N-dimethylformamide (DMF) (Wako)
Product: Single crystalline colorless MAPbCl3 with the size of several hundred micrometers
Description: Optical trapping induced crystallization: 1:1 MACl/PbCl2 (1.0 M) were dissolved in DMSO: DMF solvent mixture (1:1, v-v) to prepare the precursor solution. The solution was centrifuged at 10,000 r.p.m for 5 min; the supernatant was used for further experiments. 10 μL of the supernatant solution was used to prepare a thin layer (100-200 um thickness) in a laboratory-built sample chamber. A near-infrared (NIR) laser (Spectron Laser System, λ = 1064 nm) was focused onto the solution surface through an objective lens at 60 times magnification (Olympus UPlanFLN with a numerical aperture of 0.90).
Comment: Details of the sample chamber can be found on Page 2 of the publication.
Method: Single crystal X-ray diffraction
Description: The crystal was mounted on the glass capillary and fixed with epoxy resin. Crystallographic data were collected using a Rigaku RAXIS-RAPID diffractometer with Mo-Kα (λ = 0.71073 Å) radiation from a graphite monochromator. Structural refinements were performed using the full-matrix least-squares method on F2. The calculations were carried out with the Yadokari-XG software.
Crystal system: unknown
| Exciton energy, eV |
|---|
Starting materials: MACl salt, PbCl2 salt, stoichiometric ratio 2:1
Product: spin-coated thin film
Description: Starting materials dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 min at room temperature. Substrate: Quartz substrate with 120 nm gold layer with interdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and spin-coated, 4000 rpm / 30 seconds, targeting film thicknesses 80-300 nm.
Method: Electroabsorption
Description: Films were spin-coated onto interdigitated Au electrode array - 45 micron distance between opposing fingers. Samples mounted in cryostat with Cu wires soldered to opposing electrode stripes. Xe lamp light spectrally filtered, focused on sample and subsequently on UV-enhanced Si photodiode detector. Sample transmission, substrate transmission, and sample electrotransmission were collected in independent scans. Absorbance and electroabsorbance were then calculated from the respective transmissions.
Comment: Significantly more detail in paper.
Crystal system: cubic
| Band gap (optical, diffuse reflectance), eV |
|---|
Starting materials: Lead(II) acetate (Chemical Reagents, Sigma), concentrated aqueous HCl, CH3NH2 (40% soluble in water, Merck)
Product: MAPbCl3 single crystal ~1mm, colorless
Description: Precipitate polycrystalline MAPbCl3 from a halogenated acid solution using the method of [1]. Dissolve 1.88 g of lead(II) acetate in 40 ml concentrated to 37 wt% HCl aqueous solution warmed (~90 °C) in a water bath. Then add an excess of HCl to prevent the co-precipitation of PbCl2 in agreement with previous work [2], along with 0.45 g CH3NH2. Crystallize by cooling the solution from 90 °C to room temperature over 3 hours. Wash product with acetone and dry overnight at 100 °C in a vacuum oven. Obtain larger crystals via slow cooling from 90 to 50 °C over 3 days. Refer to Page 9299 Section 2.1 Synthesis; Figure 2.
Comment: Synthesis references: [1] A. Poglitsch and D. Weber, J. Chem. Phys., 1987, 87, 6373–6378. [2] Q. Xu, T. Eguchi, H. Nakayama, N. Nakamura and M. Kishita, Z. Naturforsch., A: Phys. Sci., 1991, 46, 240–246.
Method: UV-Vis absorption (diffuse reflectance)
Description: UV-Visible-NIR spectrophotometer (Shimadzu UV-3600) with integrating sphere attachment (ISR-3100) operating in the 300–1500 nm region. Highly refined barium sulfate powder (Wako, pure) was used as a reflectance standard. Optical absorption coefficient was determined according to the Kubelka–Munk equation. In this manner, optical band gaps for the perovskites were determined. Refer to Page 9300 Section 3.1 Paragraph 3; Figure 3,4.
Crystal system: unknown
| Exciton binding energy, eV |
|---|
Starting materials: MACl salt, PbCl2 salt, stoichiometric ratio 2:1
Product: spin-coated thin film
Description: Starting materials dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 min at room temperature. Substrate: Quartz substrate with 120 nm gold layer with interdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and spin-coated, 4000 rpm / 30 seconds, targeting film thicknesses 80-300 nm.
Method: Electroabsorption
Description: Films were spin-coated onto interdigitated Au electrode array - 45 micron distance between opposing fingers. Samples mounted in cryostat with Cu wires soldered to opposing electrode stripes. Xe lamp light spectrally filtered, focused on sample and subsequently on UV-enhanced Si photodiode detector. Sample transmission, substrate transmission, and sample electrotransmission were collected in independent scans. Absorbance and electroabsorbance were then calculated from the respective transmissions. The exciton binding energy arises as the difference of the 1s exciton peak energy observed in conventional absorption and the fundamental gap as determined by the crossover point of absorption curves measured under different electric fields in the fundamental band gap region.
Comment: Significantly more detail in paper.
Crystal system: unknown
| Band gap (fundamental), eV |
|---|
Starting materials: MACl salt, PbCl2 salt, stoichiometric ratio 2:1
Product: spin-coated thin film
Description: Starting materials dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 min at room temperature. Substrate: Quartz substrate with 120 nm gold layer with interdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and spin-coated, 4000 rpm / 30 seconds, targeting film thicknesses 80-300 nm.
Method: Electroabsorption
Description: Films were spin-coated onto interdigitated Au electrode array - 45 micron distance between opposing fingers. Samples mounted in cryostat with Cu wires soldered to opposing electrode stripes. Xe lamp light spectrally filtered, focused on sample and subsequently on UV-enhanced Si photodiode detector. Sample transmission, substrate transmission, and sample electrotransmission were collected in independent scans.Absorbance and electroabsorbance were then calculated from the respective transmissions. The fundamental gap is determined by the crossover point of absorption curves measured under different electric fields in the fundamental band gap region.
Comment: Significantly more detail in paper.
Crystal system: cubic
| Photoluminescence peak position, nm |
|---|
Starting materials: Lead chloride (PbCl2, 99.999%, Alfa Aesar), methylammonium hydrochloride (CH3NH3Cl, 99%, Alfa Aesar), dimethylformamide (DMF) (C3H7NO, 99.5%, Merck KGaA), and dimethyl sulfoxide (DMSO) (C2H6OS, 99.7%, Sigma-Aldrich)
Product: MAPbCl3 single crystals of size ~2.5 mm × 2 mm × 1 mm
Description: 0.2228 gm of CH3NH3Cl was dissolved in a 3.3 mL DMSO: DMF (1:1) solution using an ultrasonic bath for 10 minutes under an N2 atmosphere at room temperature. In 3 mL of the prepared CH3NH3Cl/DMSO:DMF (1:1) solution, 0.8343 g PbCl2 was added. The mixture was stirred for 20 min until the solution becomes transparent. The solution was filtered using PVDF filter. The filtrate was transferred in a vial and kept in an oil bath undisturbed at 50 °C for 6 ~8 h. After the formation of the crystals, they were dried with a nitrogen gun.
Method: Photoluminescence measurement at 300 K
Description: PL spectrum was recorded with a HORIBA iHR-550 spectrometer, liquid-nitrogen cooled CCD detector, and semiconductor laser operated at 266 nm.
Starting materials: Lead chloride (PbCl2, 99.999%, Alfa Aesar), methylammonium hydrochloride (CH3NH3Cl, 99%, Alfa Aesar), dimethylformamide (DMF) (C3H7NO, 99.5%, Merck KGaA), and dimethyl sulfoxide (DMSO) (C2H6OS, 99.7%, Sigma-Aldrich)
Product: MAPbCl3 single crystals of size ~2.5 mm × 2 mm × 1 mm
Description: 0.2228 gm of CH3NH3Cl was dissolved in a 3.3 mL DMSO: DMF (1:1) solution using an ultrasonic bath for 10 minutes under an N2 atmosphere at room temperature. In 3 mL of the prepared CH3NH3Cl/DMSO:DMF (1:1) solution, 0.8343 g PbCl2 was added. The mixture was stirred for 20 min until the solution becomes transparent. The solution was filtered using PVDF filter. The filtrate was transferred in a vial and kept in an oil bath undisturbed at 50 °C for 6 ~8 h. After the formation of the crystals, they were dried with a nitrogen gun.
Method: UV-Vis absorption
Description: The spectrum was recorded using a combination of a HOROBA iHR-550 spectrometer, Xenon lamp, and liquid-nitrogen cooled CCD detector
Comment: This data was obtained in transmittance mode and the sharp features seen in the data is part of the original published data. Scattering of the crystal is likely responsible for those features.
Starting materials: Lead chloride (PbCl2, 99.999%, Alfa Aesar), methylammonium hydrochloride (CH3NH3Cl, 99%, Alfa Aesar), dimethylformamide (DMF) (C3H7NO, 99.5%, Merck KGaA), and dimethyl sulfoxide (DMSO) (C2H6OS, 99.7%, Sigma-Aldrich)
Product: MAPbCl3 single crystals of size ~2.5 mm × 2 mm × 1 mm
Description: 0.2228 gm of CH3NH3Cl was dissolved in a 3.3 mL DMSO: DMF (1:1) solution using an ultrasonic bath for 10 minutes under an N2 atmosphere at room temperature. In 3 mL of the prepared CH3NH3Cl/DMSO:DMF (1:1) solution, 0.8343 g PbCl2 was added. The mixture was stirred for 20 min until the solution becomes transparent. The solution was filtered using PVDF filter. The filtrate was transferred in a vial and kept in an oil bath undisturbed at 50 °C for 6 ~8 h. After the formation of the crystals, they were dried with a nitrogen gun.
Method: Photoluminescence measurement at 300 K
Description: PL spectrum was recorded with a HORIBA iHR-550 spectrometer, liquid-nitrogen cooled CCD detector, and semiconductor laser operated at 266 nm.
See all entries for this property (5 total)
| Initial crystal system | unknown |
| Final crystal system | cubic |
| Initial space group | unknown |
| Final space group | cubic |
| Direction | both |
| Phase transition temperature | 178.0 (±5.0) K |
Hysteresis: NIL
Starting materials: HCl, CD3NH2, PbCl2
Product: CD3NH3PbCl3 crystals
Description: Primarily referenced the methods of [1] and [2]. The synthesis of MAPbBr3 in ref [2] was modified to prepare CD3NH3PbCl3.
Comment: Synthesis references: [1] Canadian Journal of Chemistry, 1987, 65(5): 1042-1046 https://doi.org/10.1139/v87-176 [2] D. WEBER. Z. Naturforsch. 33b, 1443 (1978).
Method: 2H and 14N NMR
Description: Measurements were carried out at 8.48 T with a Nicolet 360NB spectrometer using a broad band (16-58 MHz) variable-temperature 10 mm probe supplied by Nicolet. The 2-H and 14-N frequencies were 55.427 and 26.083 MHz, respectively. Refer to Page 414 Results section Existence of transitions subsection.