bis(2-thiopheneethylammonium) lead iodide

Chemical Formula: C12H20N2S2PbI4
IUPAC: bis(2-aminoethylthiophene) lead(II) iodide
Alternate Names: bis(2-aminoethylthiophene) tetraiodoplumbate(II), (2-TEA)2PbI4
Organic: C12H20N2S2
Inorganic: PbI4
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 12 , H : 20 , N : 2 , S : 2 , Pb : 1 , I : 4
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, 2-thiopheneethylamine

Product: spin-coated thin film

Description: First step: TEA2PbI4 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.

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: June 15, 2023, 9:55 p.m.
Entry added by: Kelly Ma
Last updated on: June 15, 2023, 9:55 p.m.
Last updated by: Kelly Ma

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Data set ID: 2340 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, 2-thiopheneethylamine

Product: spin-coated thin film

Description: First step: TEA2PbI4 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.

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: June 15, 2023, 9:57 p.m.
Entry added by: Kelly Ma
Last updated on: Aug. 29, 2024, 9:35 p.m.
Last updated by: Rayan C Duke University

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Data set ID: 2341 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, 2-thiopheneethylamine

Product: spin-coated thin film

Description: First step: TEA2PbI4 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.

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: June 15, 2023, 9:58 p.m.
Entry added by: Kelly Ma
Last updated on: June 15, 2023, 9:58 p.m.
Last updated by: Kelly Ma

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Data set ID: 2342 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
Method: Photoluminescence spectroscopy
Origin: experimental (T = 298.0 K)
A. A. Sutanto, N. Drigo, V. I. Queloz, I. Garcia-Benito, A. R. Kirmani, L. J. Richter, P. A. Schouwink, K. T. Cho, S. Paek, M. K. Nazeeruddin, and G. Grancini, Dynamical evolution of the 2D/3D interface: a hidden driver behind perovskite solar cell instability, Journal of Materials Chemistry A 8, 2343‑2348 (2020). doi: 10.1039/c9ta12489f.
System description
Dimensionality: 2D n: 1
Sample type: film
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: HI (1.1eq), 1.0 mol/L solution of 2-thiopheneethylamine; PbI2

Product: Thin film of n=1 2D perovskite, characterized in paper but no unambiguous statement of thickness

Description: Synthesis of thiophene cations: HI (aq, 1.1eq) added dropwise to ethanol solution with thiophenealkylamine (1.0 eq) at 0 deg C. Solution gradually reached room temperature and poured into excess diethyl ether, forming precipitates that were then washed with Et2O. Salts were recrystallized from EtOH-Et2O mixtures. Synthesis of 2D perovskite films: Substrate indicated in original reference is FTO-coated glass was etched using zinc powder and HCl, then cleaned with Hellmanex, water, acetone, and 2-propanol. Perovskite precursor solution: dissolved thiophene alkylammonium and PbI2 (molar ratio 2:1) in DMF and DMSO (0.78:0.22 v/v mixed solvent). Further deposition details of the n=1 film remain unclear in the original reference.

Method: Photoluminescence spectroscopy

Description: Excitation wavelength: 450 nm. Measurement used a Fluorolog3-22 spectrofluorometer.

A. A. Sutanto, N. Drigo, V. I. Queloz, I. Garcia-Benito, A. R. Kirmani, L. J. Richter, P. A. Schouwink, K. T. Cho, S. Paek, M. K. Nazeeruddin, and G. Grancini, Dynamical evolution of the 2D/3D interface: a hidden driver behind perovskite solar cell instability, Journal of Materials Chemistry A 8, 2343‑2348 (2020). doi: 10.1039/c9ta12489f.

Extraction method: Manual from article
Entry added on: July 12, 2023, 4:13 p.m.
Entry added by: Kelly Ma
Last updated on: July 18, 2023, 5:03 p.m.
Last updated by: Volker Blum Duke University
Data correctness verified by:
  • Volker Blum Duke University

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Data set ID: 2349 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
Method: Photoluminescence spectroscopy
Origin: experimental (T = 298.0 K)
Photoluminescence peak position

Crystal system: unknown

Photoluminescence peak position, abs. units
Fixed parameters:
  • temperature = 298.0 K
A. A. Sutanto, N. Drigo, V. I. Queloz, I. Garcia-Benito, A. R. Kirmani, L. J. Richter, P. A. Schouwink, K. T. Cho, S. Paek, M. K. Nazeeruddin, and G. Grancini, Dynamical evolution of the 2D/3D interface: a hidden driver behind perovskite solar cell instability, Journal of Materials Chemistry A 8, 2343‑2348 (2020). doi: 10.1039/c9ta12489f.
System description
Dimensionality: 2D n: 1
Sample type: film
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: HI (1.1eq), 1.0 mol/L solution of 2-thiopheneethylamine; PbI2

Product: Thin film of n=1 2D perovskite, characterized in paper but no unambiguous statement of thickness

Description: Synthesis of thiophene cations: HI (aq, 1.1eq) added dropwise to ethanol solution with thiophenealkylamine (1.0 eq) at 0 deg C. Solution gradually reached room temperature and poured into excess diethyl ether, forming precipitates that were then washed with Et2O. Salts were recrystallized from EtOH-Et2O mixtures. Synthesis of 2D perovskite films: Substrate indicated in original reference is FTO-coated glass was etched using zinc powder and HCl, then cleaned with Hellmanex, water, acetone, and 2-propanol. Perovskite precursor solution: dissolved thiophene alkylammonium and PbI2 (molar ratio 2:1) in DMF and DMSO (0.78:0.22 v/v mixed solvent). Further deposition details of the n=1 film remain unclear in the original reference.

Method: Photoluminescence spectroscopy

Description: Excitation wavelength: 450 nm. Measurement used a Fluorolog3-22 spectrofluorometer.

A. A. Sutanto, N. Drigo, V. I. Queloz, I. Garcia-Benito, A. R. Kirmani, L. J. Richter, P. A. Schouwink, K. T. Cho, S. Paek, M. K. Nazeeruddin, and G. Grancini, Dynamical evolution of the 2D/3D interface: a hidden driver behind perovskite solar cell instability, Journal of Materials Chemistry A 8, 2343‑2348 (2020). doi: 10.1039/c9ta12489f.

Extraction method: Manual from article
Entry added on: July 18, 2023, 4:59 p.m.
Entry added by: Volker Blum Duke University
Last updated on: July 18, 2023, 4:59 p.m.
Last updated by: Volker Blum Duke University
Data correctness verified by:
  • Kelly Ma

Download data
Data set ID: 2350 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!

Intensity
Method: Thin Film X-ray Diffraction
Origin: experimental (T = 298.0 K)
A. A. Sutanto, N. Drigo, V. I. Queloz, I. Garcia-Benito, A. R. Kirmani, L. J. Richter, P. A. Schouwink, K. T. Cho, S. Paek, M. K. Nazeeruddin, and G. Grancini, Dynamical evolution of the 2D/3D interface: a hidden driver behind perovskite solar cell instability, Journal of Materials Chemistry A 8, 2343‑2348 (2020). doi: 10.1039/c9ta12489f.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: HI (1.1eq), 1.0 mol/L solution of 2-thiopheneethylamine; PbI2

Product: Thin film of n=1 2D perovskite, characterized in paper but no unambiguous statement of thickness

Description: Synthesis of thiophene cations: HI (aq, 1.1eq) added dropwise to ethanol solution with thiophenealkylamine (1.0 eq) at 0 deg C. Solution gradually reached room temperature and poured into excess diethyl ether, forming precipitates that were then washed with Et2O. Salts were recrystallized from EtOH-Et2O mixtures. Synthesis of 2D perovskite films: Substrate indicated in original reference is FTO-coated glass was etched using zinc powder and HCl, then cleaned with Hellmanex, water, acetone, and 2-propanol. Perovskite precursor solution: dissolved thiophene alkylammonium and PbI2 (molar ratio 2:1) in DMF and DMSO (0.78:0.22 v/v mixed solvent). Further deposition details of the n=1 film remain unclear in the original reference.

Method: Thin Film X-Ray Diffraction

Description: XRD measured with Bruker D8 Advance diffractometer and non-monochromated Cu radiation. Patterns obtained using grazing incident diffraction geometry from Bruker D8 Discover diffractometer and non-monochromated Cu radiation at incident angle 2 deg.

A. A. Sutanto, N. Drigo, V. I. Queloz, I. Garcia-Benito, A. R. Kirmani, L. J. Richter, P. A. Schouwink, K. T. Cho, S. Paek, M. K. Nazeeruddin, and G. Grancini, Dynamical evolution of the 2D/3D interface: a hidden driver behind perovskite solar cell instability, Journal of Materials Chemistry A 8, 2343‑2348 (2020). doi: 10.1039/c9ta12489f.

Extraction method: Manual from article
Entry added on: July 26, 2023, 9:45 a.m.
Entry added by: Kelly Ma
Last updated on: July 26, 2023, 9:45 a.m.
Last updated by: Kelly Ma

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Data set ID: 2353 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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