J. Yin, P. Maity, L. Xu, A. M. El-Zohry, H. Li, O. M. Bakr, J. Bred́as, and O. Mohammed, Layer-Dependent Rashba Band Splitting in 2D Hybrid Perovskites, Chemistry of Materials 30, 8538‑8545 (2018). doi: 10.1021/acs.chemmater.8b03436.
bis(2-phenethylammonium) methylammonium lead iodide: photoluminescence peak position Verified
(PEA)2(MA)n−1PbnI3n+1 with n = 2
Origin: experimental (T = 298.0 K)
Photoluminescence peak position

Crystal system: triclinic

Photoluminescence peak position, nm
Fixed parameters:
  • temperature = 298.0 K
J. Yin, P. Maity, L. Xu, A. M. El-Zohry, H. Li, O. M. Bakr, J. Bred́as, and O. Mohammed, Layer-Dependent Rashba Band Splitting in 2D Hybrid Perovskites, Chemistry of Materials 30, 8538‑8545 (2018). doi: 10.1021/acs.chemmater.8b03436.
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: Hydroiodic acid (HI, 57% w/w in water, Alpha Aesar), Lead oxide (PbO, 99%, Sigma-Aldrich), Methylammonium Iodide (MAI, >99%, Dyesol), Phenylethylamine (PEA)

Product: Red (PEA)2MAPb2I7 crystals

Description: 6 mmol PbO, 18 mmol MAI, and 1 mmol PEA are dissolved in HI in a 20 mL vial at 90 °C. The vial was then kept in an oven at 110 °C for 4 h. The solution was then slowly cooled to room temperature.

Method: Photoluminescence

Description: For steady-state PL measurements, the details are not available in the paper.

Entry added on: Aug. 24, 2019, 7:11 p.m.
Entry added by: Sampreeti Bhattacharya UNC Chapel Hill
Last updated on: May 29, 2022, 2:40 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 604 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!

See all entries for this property (27 total)

Origin: computational
Space group: P 1
Lattice parameters

Crystal system: unknown

a:16.389999 Å
b:8.325269682 Å
c:8.55 Å
α:90°
β:90°
γ:98.139999°
J. Yin, P. Maity, L. Xu, A. M. El-Zohry, H. Li, O. M. Bakr, J. Bred́as, and O. Mohammed, Layer-Dependent Rashba Band Splitting in 2D Hybrid Perovskites, Chemistry of Materials 30, 8538‑8545 (2018). doi: 10.1021/acs.chemmater.8b03436.
System description
Dimensionality: D
Sample type: unknown

Code: VESTA

Level of theory: DFT

Exchange-correlation functional: PBE+SOC+vdW

K-point grid: 6x6x1

Basis set definition: PAW

Numerical accuracy: Plane-wave cutoff energy: 500 eV

Comment: The structure data in this publication had some unclear details; therefore, the structure published in this database is based off of the structure information in the publication with some added assumptions.

Extraction method: Manually extracted from a publication
Entry added on: Aug. 20, 2020, 8:35 p.m.
Entry added by: Rebecca Lau Duke University
Last updated on: June 2, 2022, 12:34 a.m.
Last updated by: Rebecca Lau Duke University

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Data set ID: 1639 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!

See all entries for this property (27 total)

Origin: experimental
Lattice parameters

Crystal system: monoclinic

a:18.190001 Å
b:8.617859613 Å
c:8.93 Å
α:90°
β:96.86°
γ:90°
J. Yin, P. Maity, L. Xu, A. M. El-Zohry, H. Li, O. M. Bakr, J. Bred́as, and O. Mohammed, Layer-Dependent Rashba Band Splitting in 2D Hybrid Perovskites, Chemistry of Materials 30, 8538‑8545 (2018). doi: 10.1021/acs.chemmater.8b03436.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: hydriodic acid (57% w/w in water, Alpha Aesar), phenethylamine (PEA), lead oxide (PbO, 99%, Sigma-Aldrich)

Product: Orange (PEA)2PbI4 crystals

Description: In 30 mL HI solution, PEA, and PbO (ratio: 1.72: 3.45 mmol) were dissolved. The solution was heated at 110º C for 4 hours and subsequently cooled to room temperature. Once the solution cooled, single crystals formed.

Method: Single crystal X-ray diffraction

Extraction method: Manually extracted from a publication
Entry added on: Aug. 20, 2020, 9:11 p.m.
Entry added by: Rebecca Lau Duke University
Last updated on: June 2, 2022, 12:35 a.m.
Last updated by: Rebecca Lau Duke University

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Data set ID: 1640 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!

See all entries for this property (2 total)

(PEA)2(MA)n−1PbnI3n+1 with n = 2
Origin: experimental (T = 298.0 K)
J. Yin, P. Maity, L. Xu, A. M. El-Zohry, H. Li, O. M. Bakr, J. Bred́as, and O. Mohammed, Layer-Dependent Rashba Band Splitting in 2D Hybrid Perovskites, Chemistry of Materials 30, 8538‑8545 (2018). doi: 10.1021/acs.chemmater.8b03436.
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: Hydroiodic acid (HI, 57% w/w in water, Alpha Aesar), Lead oxide (PbO, 99%, Sigma-Aldrich), Methylammonium Iodide (MAI, >99%, Dyesol), Phenylethylamine (PEA)

Product: Red (PEA)2MAPb2I7 crystals

Description: 6 mmol PbO, 18 mmol MAI, and 1 mmol PEA are dissolved in HI in a 20 mL vial at 90 °C. The vial was then kept in an oven at 110 °C for 4 h. The solution was then slowly cooled to room temperature.

Method: Photoluminescence

Description: For steady-state PL measurements, the details are not available in the paper.

Entry added on: May 29, 2022, 1:22 p.m.
Entry added by: Rayan C Duke University
Last updated on: May 29, 2022, 5:01 p.m.
Last updated by: Rayan C Duke University

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Data set ID: 2012 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!

See all entries for this property (2 total)

(PEA)2(MA)n−1PbnI3n+1 with n = 3
Origin: experimental (T = 298.0 K)
J. Yin, P. Maity, L. Xu, A. M. El-Zohry, H. Li, O. M. Bakr, J. Bred́as, and O. Mohammed, Layer-Dependent Rashba Band Splitting in 2D Hybrid Perovskites, Chemistry of Materials 30, 8538‑8545 (2018). doi: 10.1021/acs.chemmater.8b03436.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: Hydroiodic acid (HI, 57% w/w in water, Alpha Aesar), Lead oxide (PbO, 99%, Sigma-Aldrich), Methylammonium Iodide (MAI, >99%, Dyesol), Phenylethylamine (PEA)

Product: Black (PEA)2MA2Pb3I10 crystals

Description: 10 mmol PbO, 24 mmol MAI, and 1 mmol PEA are dissolved in HI in a 20 mL vial at 90 °C. The vial was then kept in an oven at 110 °C for 4 h. The solution was then slowly cooled to room temperature.

Method: Photoluminescence

Description: For steady-state PL measurements, the details are not available in the paper.

Entry added on: May 29, 2022, 3:22 p.m.
Entry added by: Rayan C Duke University
Last updated on: May 29, 2022, 5:01 p.m.
Last updated by: Rayan C Duke University

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Data set ID: 2013 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!

See all entries for this property (27 total)

Origin: experimental
Lattice parameters

Crystal system: triclinic

a:8.68 Å
b:8.93 Å
c:18.19 Å
α:90°
β:96.86°
γ:90°
J. Yin, P. Maity, L. Xu, A. M. El-Zohry, H. Li, O. M. Bakr, J. Bred́as, and O. Mohammed, Layer-Dependent Rashba Band Splitting in 2D Hybrid Perovskites, Chemistry of Materials 30, 8538‑8545 (2018). doi: 10.1021/acs.chemmater.8b03436.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: hydriodic acid (57% w/w in water, Alpha Aesar), phenethylamine (PEA), lead oxide (PbO, 99%, Sigma-Aldrich)

Product: Orange (PEA)2PbI4 crystals

Description: In 30 mL HI solution, PEA, and PbO (ratio: 1.72: 3.45 mmol) were dissolved. The solution was heated at 110º C for 4 hours and subsequently cooled to room temperature. Once the solution cooled, single crystals formed.

Method: Single crystal X-ray diffraction

Extraction method: Manually extracted from a publication
Entry added on: June 2, 2022, 12:20 a.m.
Entry added by: Rebecca Lau Duke University
Last updated on: June 2, 2022, 12:20 a.m.
Last updated by: Rebecca Lau Duke University

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Data set ID: 2016 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!

See all entries for this property (27 total)

Origin: computational
Lattice parameters

Crystal system: triclinic

a:8.41 Å
b:8.55 Å
c:16.39 Å
α:90°
β:98.14°
γ:90°
J. Yin, P. Maity, L. Xu, A. M. El-Zohry, H. Li, O. M. Bakr, J. Bred́as, and O. Mohammed, Layer-Dependent Rashba Band Splitting in 2D Hybrid Perovskites, Chemistry of Materials 30, 8538‑8545 (2018). doi: 10.1021/acs.chemmater.8b03436.
System description
Dimensionality: D
Sample type: unknown

Code: VESTA

Level of theory: DFT

Exchange-correlation functional: PBE+SOC+vdW

K-point grid: 6x6x1

Basis set definition: PAW

Numerical accuracy: Plane-wave cutoff energy: 500 eV

Comment: The structure data in this publication had some unclear details; therefore, the structure published in this database is based off of the structure information in the publication with some added assumptions.

Extraction method: Manually extracted from a publication
Entry added on: June 2, 2022, 12:33 a.m.
Entry added by: Rebecca Lau Duke University
Last updated on: June 2, 2022, 12:33 a.m.
Last updated by: Rebecca Lau Duke University

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Data set ID: 2017 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.