L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
Histammonium lead iodide: atomic structure Verified

See all entries for this property (2 total)

Origin: experimental (T = 293.0 (±2.0) K)
Space group: P2(1)/n
Lattice parameters

Crystal system: monoclinic

a:8.9159 (±0.0007) Å
b:20.0335 (±0.0015) Å
c:8.9925 (±0.0006) Å
α:90°
β:91.875 (±0.006)°
γ:90°
Fixed parameters:
  • temperature = 293.0 (±2.0) K
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: PbO, HI, H3PO2, histamine dihydrochloride

Product: Dark orange plate-like crystals

Description: PbO powder was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Histamine dihydrochloride was then dissolved into another HI solution and also heated (1:1 molar ratio to PbO). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Single-crystal X-ray diffraction

Description: Either a STOE IPDS 2 or IPDS 2T diffractometer with Mo Kalpha radiation operated at 50 kV and 40 mA in a nitrogen atmosphere was used. Integration and absorption corrections were made with the STOE X-AREA programs. Structure was solved directly and refined with full-matrix least-squares on F2 with the OLEX2 program package.

Extraction method: Manually extracted from a publication
Entry added on: June 29, 2020, 9:43 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 5:54 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1046 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!

Histammonium lead iodide: photoluminescence Verified
Origin: experimental (T = 298.0 K)
Space group: P2(1)/n
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: PbO, HI, H3PO2, histamine dihydrochloride

Product: Dark orange plate-like crystals

Description: PbO powder was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Histamine dihydrochloride was then dissolved into another HI solution and also heated (1:1 molar ratio to PbO). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Time-Resolved Photoluminescence Spectroscopy

Description: TR-PL was collected at room temperature using the Hamamatsu C4334 Steakscope streack camera system. The instrument response function is about 30 picoseconds and the temporal resolution after deconvolution fitting is about 10 picoseconds. 400 excitation pulses were generated at a high repetition rate from an ultrafast laser system.

Comment: Selected data: Time = 0.206 ns

Extraction method: Engauge digitizer
Entry added on: June 29, 2020, 9:47 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 5:55 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1047 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!

Histammonium lead iodide: absorption spectrum Verified
Origin: experimental (T = 298.0 K)
Space group: P2(1)/n
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: PbO, HI, H3PO2, histamine dihydrochloride

Product: Dark orange plate-like crystals

Description: PbO powder was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Histamine dihydrochloride was then dissolved into another HI solution and also heated (1:1 molar ratio to PbO). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Diffuse Reflectance Spectra

Description: A Shimadzu UV-3600 UV-vis NIR spectrometer was used to measure optical diffuse reflectance at room temperature. BaSO4 was used as the 100% reflectance reference. Reflectance vs wavelength was used to get the absorption spectrum via the Kubelka-Munk equation, which was then used to extrapolate the optical band gaps.

Extraction method: Engauge digitizer
Entry added on: June 29, 2020, 9:48 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 5:55 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1048 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!

Histammonium lead iodide: band gap (optical, diffuse reflectance) Verified
Origin: experimental (T = 298.0 K)
Space group: P2(1)/n
Band gap (optical, diffuse reflectance)

Crystal system: monoclinic

Band gap (optical, diffuse reflectance), eV
Fixed parameters:
  • temperature = 298.0 K
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: PbO, HI, H3PO2, histamine dihydrochloride

Product: Dark orange plate-like crystals

Description: PbO powder was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Histamine dihydrochloride was then dissolved into another HI solution and also heated (1:1 molar ratio to PbO). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Diffuse Reflectance Spectra

Description: A Shimadzu UV-3600 UV-vis NIR spectrometer was used to measure optical diffuse reflectance at room temperature. BaSO4 was used as the 100% reflectance reference. Reflectance vs wavelength was used to get the absorption spectrum via the Kubelka-Munk equation, which was then used to extrapolate the optical band gaps.

Extraction method: Manually extracted from a publication
Entry added on: June 29, 2020, 9:52 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 5:57 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1049 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!

Histammonium tin iodide: atomic structure Verified
Origin: experimental (T = 293.0 (±2.0) K)
Space group: P2(1)/n
Lattice parameters

Crystal system: monoclinic

a:8.7411 (±0.0004) Å
b:20.0449 (±0.0007) Å
c:8.9845 (±0.0003) Å
α:90°
β:91.571 (±0.003)°
γ:90°
Fixed parameters:
  • temperature = 293.0 (±2.0) K
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: SnCl2·2H2O, HI, H3PO2, histamine dihydrochloride

Product: Black plate-like crystals

Description: SnCl2·2H2O was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Histamine dihydrochloride was then dissolved into another HI solution and also heated (1:1 molar ratio to Sn). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Single-crystal X-ray diffraction

Description: Either a STOE IPDS 2 or IPDS 2T diffractometer with Mo Kalpha radiation operated at 50 kV and 40 mA in a nitrogen atmosphere was used. Integration and absorption corrections were made with the STOE X-AREA programs. Structure was solved directly and refined with full-matrix least-squares on F2 with the OLEX2 program package.

Extraction method: Manually extracted from a publication
Entry added on: June 29, 2020, 9:55 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 5:58 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1050 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!

Histammonium tin iodide: photoluminescence Verified
Origin: experimental (T = 298.0 K)
Space group: P2(1)/n
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: SnCl2·2H2O, HI, H3PO2, histamine dihydrochloride

Product: Black plate-like crystals

Description: SnCl2·2H2O was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Histamine dihydrochloride was then dissolved into another HI solution and also heated (1:1 molar ratio to Sn). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Time-Resolved Photoluminescence Spectroscopy

Description: TR-PL was collected at room temperature using the Hamamatsu C4334 Steakscope streack camera system. The instrument response function is about 30 picoseconds and the temporal resolution after deconvolution fitting is about 10 picoseconds. 400 excitation pulses were generated at a high repetition rate from an ultrafast laser system.

Comment: Selected data: Time = 0.206 ns

Extraction method: Engauge digitizer
Entry added on: June 29, 2020, 9:58 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 5:59 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1051 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!

Histammonium tin iodide: absorption spectrum Verified
Origin: experimental (T = 298.0 K)
Space group: P2(1)/n
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: SnCl2·2H2O, HI, H3PO2, histamine dihydrochloride

Product: Black plate-like crystals

Description: SnCl2·2H2O was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Histamine dihydrochloride was then dissolved into another HI solution and also heated (1:1 molar ratio to Sn). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Diffuse Reflectance Spectra

Description: A Shimadzu UV-3600 UV-vis NIR spectrometer was used to measure optical diffuse reflectance at room temperature. BaSO4 was used as the 100% reflectance reference. Reflectance vs wavelength was used to get the absorption spectrum via the Kubelka-Munk equation, which was then used to extrapolate the optical band gaps.

Extraction method: Engauge digitizer
Entry added on: June 29, 2020, 10:07 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 6:01 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1052 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!

Histammonium tin iodide: band gap (optical, diffuse reflectance) Verified
Origin: experimental (T = 298.0 K)
Space group: P2(1)/n
Band gap (optical, diffuse reflectance)

Crystal system: monoclinic

Band gap (optical, diffuse reflectance), eV
Fixed parameters:
  • temperature = 298.0 K
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: SnCl2·2H2O, HI, H3PO2, histamine dihydrochloride

Product: Black plate-like crystals

Description: SnCl2·2H2O was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Histamine dihydrochloride was then dissolved into another HI solution and also heated (1:1 molar ratio to Sn). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Diffuse Reflectance Spectra

Description: A Shimadzu UV-3600 UV-vis NIR spectrometer was used to measure optical diffuse reflectance at room temperature. BaSO4 was used as the 100% reflectance reference. Reflectance vs wavelength was used to get the absorption spectrum via the Kubelka-Munk equation, which was then used to extrapolate the optical band gaps.

Extraction method: Manually extracted from a publication
Entry added on: June 29, 2020, 10:08 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 6:02 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1053 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!

Bis(benzylammonium) lead iodide: atomic structure Verified

See all entries for this property (2 total)

Origin: experimental (T = 293.0 (±2.0) K)
Space group: P b c a
Lattice parameters

Crystal system: orthorhombic

a:9.1561 (±0.0005) Å
b:8.6894 (±0.0003) Å
c:28.7762 (±0.0015) Å
α:90°
β:90 (±0.004)°
γ:90°
Fixed parameters:
  • temperature = 293.0 (±2.0) K
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: PbO, HI, H3PO2, benzylamine hydrochloride

Product: Orange plate-like crystals

Description: PbO powder was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Benzylamine hydrochloride was then dissolved into another HI solution and also heated (2:1 molar ratio to PbO). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Single-crystal X-ray diffraction

Description: Either a STOE IPDS 2 or IPDS 2T diffractometer with Mo Kalpha radiation operated at 50 kV and 40 mA in a nitrogen atmosphere was used. Integration and absorption corrections were made with the STOE X-AREA programs. Structure was solved directly and refined with full-matrix least-squares on F2 with the OLEX2 program package.

Extraction method: Manually extracted from a publication
Entry added on: June 29, 2020, 10:13 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 6:46 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1054 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!

Bis(benzylammonium) lead iodide: photoluminescence Verified
Origin: experimental (T = 298.0 K)
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: PbO, HI, H3PO2, benzylamine hydrochloride

Product: Orange plate-like crystals

Description: PbO powder was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Benzylamine hydrochloride was then dissolved into another HI solution and also heated (2:1 molar ratio to PbO). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Time-Resolved Photoluminescence Spectroscopy

Description: TR-PL was collected at room temperature using the Hamamatsu C4334 Steakscope streack camera system. The instrument response function is about 30 picoseconds and the temporal resolution after deconvolution fitting is about 10 picoseconds. 400 excitation pulses were generated at a high repetition rate from an ultrafast laser system.

Comment: Selected data: Time = 0.206 ns

Extraction method: Engauge digitizer
Entry added on: June 29, 2020, 10:15 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 6:50 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1055 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!

Bis(benzylammonium) lead iodide: absorption spectrum Verified
Origin: experimental (T = 298.0 K)
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: PbO, HI, H3PO2, benzylamine hydrochloride

Product: Orange plate-like crystals

Description: PbO powder was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Benzylamine hydrochloride was then dissolved into another HI solution and also heated (2:1 molar ratio to PbO). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Diffuse Reflectance Spectra

Description: A Shimadzu UV-3600 UV-vis NIR spectrometer was used to measure optical diffuse reflectance at room temperature. BaSO4 was used as the 100% reflectance reference. Reflectance vs wavelength was used to get the absorption spectrum via the Kubelka-Munk equation, which was then used to extrapolate the optical band gaps.

Extraction method: Engauge digitizer
Entry added on: June 29, 2020, 10:17 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 6:52 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1056 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!

Bis(benzylammonium) lead iodide: band gap (optical, diffuse reflectance) Verified
Origin: experimental (T = 298.0 K)
Band gap (optical, diffuse reflectance)

Crystal system: orthorhombic

Band gap (optical, diffuse reflectance), eV
Fixed parameters:
  • temperature = 298.0 K
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: PbO, HI, H3PO2, benzylamine hydrochloride

Product: Orange plate-like crystals

Description: PbO powder was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Benzylamine hydrochloride was then dissolved into another HI solution and also heated (2:1 molar ratio to PbO). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Diffuse Reflectance Spectra

Description: A Shimadzu UV-3600 UV-vis NIR spectrometer was used to measure optical diffuse reflectance at room temperature. BaSO4 was used as the 100% reflectance reference. Reflectance vs wavelength was used to get the absorption spectrum via the Kubelka-Munk equation, which was then used to extrapolate the optical band gaps.

Extraction method: Manually extracted from a publication
Entry added on: June 29, 2020, 10:17 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 6:53 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1057 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!

Bis(benzylammonium) tin iodide: atomic structure Verified
Origin: experimental (T = 293.0 (±2.0) K)
Space group: P b c a
Lattice parameters

Crystal system: orthorhombic

a:9.0944 (±0.0004) Å
b:8.6613 (±0.0006) Å
c:28.764 (±0.0013) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 293.0 (±2.0) K
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: SnCl2·2H2O, HI, H3PO2, benzylamine hydrochloride

Product: Dark red plate-like crystals

Description: SnCl2·2H2O was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Benzylamine hydrochloride was then dissolved into another HI solution and also heated (2:1 molar ratio to Sn). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Single-crystal X-ray diffraction

Description: Either a STOE IPDS 2 or IPDS 2T diffractometer with Mo Kalpha radiation operated at 50 kV and 40 mA in a nitrogen atmosphere was used. Integration and absorption corrections were made with the STOE X-AREA programs. Structure was solved directly and refined with full-matrix least-squares on F2 with the OLEX2 program package.

Extraction method: Manually extracted from a publication
Entry added on: June 29, 2020, 10:23 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 6:48 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1058 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!

Bis(benzylammonium) tin iodide: photoluminescence Verified
Origin: experimental (T = 298.0 K)
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: SnCl2·2H2O, HI, H3PO2, benzylamine hydrochloride

Product: Dark red plate-like crystals

Description: SnCl2·2H2O was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Benzylamine hydrochloride was then dissolved into another HI solution and also heated (2:1 molar ratio to Sn). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Time-Resolved Photoluminescence Spectroscopy

Description: TR-PL was collected at room temperature using the Hamamatsu C4334 Steakscope streack camera system. The instrument response function is about 30 picoseconds and the temporal resolution after deconvolution fitting is about 10 picoseconds. 400 excitation pulses were generated at a high repetition rate from an ultrafast laser system.

Comment: Selected data: Time = 0.206 ns

Extraction method: Engauge digitizer
Entry added on: June 29, 2020, 10:26 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 6:55 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1059 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!

Bis(benzylammonium) tin iodide: absorption spectrum Verified
Origin: experimental (T = 298.0 K)
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: SnCl2·2H2O, HI, H3PO2, benzylamine hydrochloride

Product: Dark red plate-like crystals

Description: SnCl2·2H2O was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Benzylamine hydrochloride was then dissolved into another HI solution and also heated (2:1 molar ratio to Sn). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Diffuse Reflectance Spectra

Description: A Shimadzu UV-3600 UV-vis NIR spectrometer was used to measure optical diffuse reflectance at room temperature. BaSO4 was used as the 100% reflectance reference. Reflectance vs wavelength was used to get the absorption spectrum via the Kubelka-Munk equation, which was then used to extrapolate the optical band gaps.

Extraction method: Engauge digitizer
Entry added on: June 29, 2020, 10:27 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 15, 2022, 1:56 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1060 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!

Bis(benzylammonium) tin iodide: band gap (optical, diffuse reflectance) Verified
Origin: experimental (T = 298.0 K)
Band gap (optical, diffuse reflectance)

Crystal system: orthorhombic

Band gap (optical, diffuse reflectance), eV
Fixed parameters:
  • temperature = 298.0 K
L. Mao, H. Tsai, W. Nie, L. Ma, J. Im, C. C. Stoumpos, C. D. Malliakas, F. Hao, M. R. Wasielewski, A. D. Mohite, and M. G. Kanatzidis, Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells, Chemistry of Materials 28, 7781‑7792 (2016). doi: 10.1021/acs.chemmater.6b03054.
System description
Dimensionality: D
Sample type: single crystal
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: SnCl2·2H2O, HI, H3PO2, benzylamine hydrochloride

Product: Dark red plate-like crystals

Description: SnCl2·2H2O was dissolved in a solution with HI and H3PO2 and heated while stirring for 20 minutes at 120 degrees Celsius. The solution became bright yellow. Benzylamine hydrochloride was then dissolved into another HI solution and also heated (2:1 molar ratio to Sn). Then the latter solution was carefully layered on top of the PbI2 solution and dark orange crystals precipitated upon cooling.

Method: Diffuse Reflectance Spectra

Description: A Shimadzu UV-3600 UV-vis NIR spectrometer was used to measure optical diffuse reflectance at room temperature. BaSO4 was used as the 100% reflectance reference. Reflectance vs wavelength was used to get the absorption spectrum via the Kubelka-Munk equation, which was then used to extrapolate the optical band gaps.

Extraction method: Manually extracted from a publication
Entry added on: June 29, 2020, 10:29 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 12, 2022, 6:58 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1061 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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