Bis(pentylammonium) lead iodide

Chemical Formula: (CH3(CH2)4NH3)2PbI4
IUPAC: bis(pentylaminium) lead (II) iodide
Alternate Names: (PA)2PbI4, bis(pentylaminium) tetraiodoplumbate(II)
Organic: C5H14N
Inorganic: PbI4, Lead iodide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 10 , H : 28 , N : 2 , Pb : 1 , I : 4
Band gap (optical, diffuse reflectance) Verified

See all entries for this property (2 total)

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!

Photoluminescence peak position Verified
Origin: experimental (T = 298.0 K)
Space group: P21/a
Photoluminescence peak position

Crystal system: monoclinic

Photoluminescence peak position, 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: Photoluminescence microscopy

Description: Data was collected with a Horiba LabRam Evolution high-resolution confocal Raman microscope spectrometer (600g/mm diffraction grating, with a diode continuous wave laser (473 nm, 25 mW) and a Synapse charge-coupled device camera. PL energy was calculated by the PL peak position of the optical emission 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, 6:19 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: 1410 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!

Photoluminescence Verified
Origin: experimental (T = 298.0 K)
Space group: P21/a
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: unknown

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: Photoluminescence microscopy

Description: Data was collected with a Horiba LabRam Evolution high-resolution confocal Raman microscope spectrometer (600g/mm diffraction grating, with a diode continuous wave laser (473 nm, 25 mW) and a Synapse charge-coupled device camera. PL energy was calculated by the PL peak position of the optical emission 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: Engauge Digitizer
Entry added on: July 17, 2020, 6:27 a.m.
Entry added by: Rebecca Lau Duke University
Last updated on: Aug. 16, 2022, 9:35 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1411 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!

Absorption spectrum Verified
Origin: experimental (T = 298.0 K)
Space group: P21/a
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.

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: Engauge Digitizer
Entry added on: July 17, 2020, 6:34 a.m.
Entry added by: Rebecca Lau Duke University
Last updated on: Aug. 16, 2022, 9:36 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1413 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 (fundamental)
Method: Electroabsorption
Origin: experimental (T = 15.0 K)
Band gap (fundamental)

Crystal system: unknown

Band gap (fundamental), eV
Fixed parameters:
  • temperature = 15.0 K
K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: PbO, HI, H3PO2, amylamine

Product: spin-coated thin film

Description: First step: (C5)2PbI4 single crystal flakes synthesized as follows: Slow-cooling in HI method: 2.232g (10 mmol) of PbO dissolved in glass vial containing 10 mL of HI and 1.7 mL of H3PO2. Brought to near-boiling temperature. 10 mmol of the organic amine mixed with 5 mL HI, cooled in an ice bath. Solutions were mixed and heated, then cooled to room temperature, upon which single crystal flakes form. Crystals were then washed thrice with diethyl ether and dried under a vacuum. Second step (thin film formation): Flakes were dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 minutes. Substrate: quartz substrate with 120 nm gold layer of interdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and then spun at 4000 rpm for 30 seconds, targeting film thickness of 80-300nm. Film was solvent-annealed, then enclosed with 2mL dH2O.

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.

K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.

Extraction method: Manual from article (Table S1)
Entry added on: Aug. 7, 2023, 9:37 p.m.
Entry added by: Kelly Ma
Last updated on: Aug. 7, 2023, 9:37 p.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2372 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!

Exciton binding energy
Method: Electroabsorption
Origin: experimental (T = 15.0 K)
Exciton binding energy

Crystal system: unknown

Exciton binding energy, eV
Fixed parameters:
  • temperature = 15.0 K
K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: PbO, HI, H3PO2, amylamine

Product: spin-coated thin film

Description: First step: (C5)2PbI4 single crystal flakes synthesized as follows: Slow-cooling in HI method: 2.232g (10 mmol) of PbO dissolved in glass vial containing 10 mL of HI and 1.7 mL of H3PO2. Brought to near-boiling temperature. 10 mmol of the organic amine mixed with 5 mL HI, cooled in an ice bath. Solutions were mixed and heated, then cooled to room temperature, upon which single crystal flakes form. Crystals were then washed thrice with diethyl ether and dried under a vacuum. Second step (thin film formation): Flakes were dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 minutes. Substrate: quartz substrate with 120 nm gold layer of interdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and then spun at 4000 rpm for 30 seconds, targeting film thickness of 80-300nm. Film was solvent-annealed, then enclosed with 2mL dH2O.

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.

K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.

Extraction method: Manual from article (Table S1)
Entry added on: Aug. 7, 2023, 9:44 p.m.
Entry added by: Kelly Ma
Last updated on: Aug. 7, 2023, 9:45 p.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2373 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!

Exciton energy
Method: Electroabsorption
Origin: experimental (T = 15.0 K)
Exciton energy

Crystal system: unknown

Exciton energy, eV
Fixed parameters:
  • temperature = 15.0 K
K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: PbO, HI, H3PO2, amylamine

Product: spin-coated thin film

Description: First step: (C5)2PbI4 single crystal flakes synthesized as follows: Slow-cooling in HI method: 2.232g (10 mmol) of PbO dissolved in glass vial containing 10 mL of HI and 1.7 mL of H3PO2. Brought to near-boiling temperature. 10 mmol of the organic amine mixed with 5 mL HI, cooled in an ice bath. Solutions were mixed and heated, then cooled to room temperature, upon which single crystal flakes form. Crystals were then washed thrice with diethyl ether and dried under a vacuum. Second step (thin film formation): Flakes were dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 minutes. Substrate: quartz substrate with 120 nm gold layer of interdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and then spun at 4000 rpm for 30 seconds, targeting film thickness of 80-300nm. Film was solvent-annealed, then enclosed with 2mL dH2O.

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.

K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.

Extraction method: Manual from article (Table S1)
Entry added on: Aug. 7, 2023, 9:45 p.m.
Entry added by: Kelly Ma
Last updated on: Aug. 7, 2023, 9:45 p.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2374 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!


License

All data is available under the Creative Commons license with attribution clause, described here and, in its full text, here.