Bis(pentylammonium) lead iodide: band gap (optical, diffuse reflectance)

Band gap (optical, diffuse reflectance) Verified
estimated from absorption edge
Origin: experimental (T = 298.0 K)
Space group: P21/a
Band gap (optical, diffuse reflectance)

Crystal system: monoclinic

Band gap (optical, diffuse reflectance), eV
Fixed parameters:
  • temperature = 298.0 K
I. Spanopoulos, I. Hadar, W. Ke, Q. Tu, M. Chen, H. Tsai, Y. He, G. Shekhawat, V. P. Dravid, M. R. Wasielewski, A. D. Mohite, C. C. Stoumpos, and M. G. Kanatzidis, Uniaxial Expansion of the 2D Ruddlesden−Popper Perovskite Family for Improved Environmental Stability, Journal of the American Chemical Society 141, 5518‑5534 (2019). doi: 10.1021/jacs.9b01327.
System description
Dimensionality: 2D n: 1
Sample type: bulk polycrystalline

Starting materials: Lead(II) oxide (PbO, <10 μm, ReagentPlus®, ≥99.9% trace metals basis ), HI (57 wt. % in H2O), pentylamine 99%, H3PO2 (50 wt. % in H2O)

Product: orange plate-like crystals

Description: PbO powder (2232 mg, 10 mmol) was dissolved in 57% w/w aqueous HI solution (16 mL) in a 50 mL glass flask by heating to boiling under stirring. A bright yellow solution resulted. 1159 μL (10 mmol) of pentylamine in 50% aqueous H3PO2 (2 mL) was slowly added. The solution was slowly cooled to room temperature.

Method: UV-vis absorption (diffused reflectance)

Description: Optical diffuse-reflectance measurements were conducted at room temperature. A Shimadzu UV-2600 PC double-beam, double-monochromator spectrophotometer was operating from 200 to 2500 nm. BaS4 was used as a non-absorbing reflectance reference. Reflectance v. wavelength data was collected and used to estimate the band gap by converting reflectance to absorbance via the Kubelka-Munk equation: α/S = (1-R)^{2}/2R. Band gap energy was calculated based on the absorption edge and exciton peak of the optical absorption spectra.

I. Spanopoulos, I. Hadar, W. Ke, Q. Tu, M. Chen, H. Tsai, Y. He, G. Shekhawat, V. P. Dravid, M. R. Wasielewski, A. D. Mohite, C. C. Stoumpos, and M. G. Kanatzidis, Uniaxial Expansion of the 2D Ruddlesden−Popper Perovskite Family for Improved Environmental Stability, Journal of the American Chemical Society 141, 5518‑5534 (2019). doi: 10.1021/jacs.9b01327.

Extraction method: Manually extracted from a publication
Entry added on: July 17, 2020, 6:15 a.m.
Entry added by: Rebecca Lau Duke University
Last updated on: Aug. 16, 2022, 9:33 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1408 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

Band gap (optical, diffuse reflectance) Verified
estimated from exciton peak
Origin: experimental (T = 298.0 K)
Space group: P21/a
Band gap (optical, diffuse reflectance)

Crystal system: monoclinic

Band gap (optical, diffuse reflectance), eV
Fixed parameters:
  • temperature = 298.0 K
I. Spanopoulos, I. Hadar, W. Ke, Q. Tu, M. Chen, H. Tsai, Y. He, G. Shekhawat, V. P. Dravid, M. R. Wasielewski, A. D. Mohite, C. C. Stoumpos, and M. G. Kanatzidis, Uniaxial Expansion of the 2D Ruddlesden−Popper Perovskite Family for Improved Environmental Stability, Journal of the American Chemical Society 141, 5518‑5534 (2019). doi: 10.1021/jacs.9b01327.
System description
Dimensionality: 2D n: 1
Sample type: bulk polycrystalline

Starting materials: Lead(II) oxide (PbO, <10 μm, ReagentPlus®, ≥99.9% trace metals basis ), HI (57 wt. % in H2O), pentylamine 99%, H3PO2 (50 wt. % in H2O)

Product: orange plate-like crystals

Description: PbO powder (2232 mg, 10 mmol) was dissolved in 57% w/w aqueous HI solution (16 mL) in a 50 mL glass flask by heating to boiling under stirring. A bright yellow solution resulted. 1159 μL (10 mmol) of pentylamine in 50% aqueous H3PO2 (2 mL) was slowly added. The solution was slowly cooled to room temperature.

Method: UV-vis absorption (diffused reflectance)

Description: Optical diffuse-reflectance measurements were conducted at room temperature. A Shimadzu UV-2600 PC double-beam, double-monochromator spectrophotometer was operating from 200 to 2500 nm. BaS4 was used as a non-absorbing reflectance reference. Reflectance v. wavelength data was collected and used to estimate the band gap by converting reflectance to absorbance via the Kubelka-Munk equation: α/S = (1-R)^{2}/2R. Band gap energy was calculated based on the absorption edge and exciton peak of the optical absorption spectra.

I. Spanopoulos, I. Hadar, W. Ke, Q. Tu, M. Chen, H. Tsai, Y. He, G. Shekhawat, V. P. Dravid, M. R. Wasielewski, A. D. Mohite, C. C. Stoumpos, and M. G. Kanatzidis, Uniaxial Expansion of the 2D Ruddlesden−Popper Perovskite Family for Improved Environmental Stability, Journal of the American Chemical Society 141, 5518‑5534 (2019). doi: 10.1021/jacs.9b01327.

Extraction method: Manually extracted from a publication
Entry added on: July 17, 2020, 6:17 a.m.
Entry added by: Rebecca Lau Duke University
Last updated on: Aug. 16, 2022, 9:34 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1409 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!


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