W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Methylammonium lead iodide: photoluminescence peak position

See all entries for this property (5 total)

Origin: experimental
Photoluminescence peak position

Crystal system: orthorhombic

Temperature, K Photoluminescence peak position, eV
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
System description
Dimensionality: D
Sample type: film

Starting materials: Methylamine (40% in methanol), hydroiodic acid (57 wt% in water), PbI2, g-butyrolactone, H2O2, NH4OH, Si wafer

Product: MAPbI3 film

Description: React 30 mL of methylamine and 32.3 mL of hydroiodic acid at 0 °C for 2 h. Evaporate solvents at 50 °C. Wash the yellowish raw CH3NH3I with diethyl ether by stirring the solution for 30min for a total of three times. Recrystallize CH3NH3I from a mixed solvent of diethyl ether and ethanol. Collect the solid and dry at 60 °C in a vacuum oven for 24 h. Treat Si wafer with an aqueous solution of H2O2 and NH4OH with a volume ratio of H2O2 : NH4OH : H2O = 1 : 1 : 5 for 30 min. Drop a 40 wt% precursor solution of equimolar CH3NH3I and PbI2 in g-butyrolactone onto the Si wafer to form the MAPbI3 film. Spin-coat at 1500 rpm for 30 s, and then at 2500 rpm for 40 min in air. Upon drying at room temperature, color change indicates the formation of MAPbI3 in the solid state. Anneal the MAPbI3 film in air for 15 min at 100 °C.

Method: Photoluminescence

Description: Steady-state and time-resolved PL spectra were measured using an Edinburgh FLS920 spectroscopy system using laser excitation at 405 nm. PL peak is due to near-band edge transition. [Results and discussion paragraph 3; Fig. 2(b) Peak_OI]

Comment: Grain size were 100-500 nm diameter

Extraction method: Manual entry
Entry added on: March 14, 2019, 5:59 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: June 22, 2022, 10:03 p.m.
Last updated by: Rayan C Duke University

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Data set ID: 22 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!

Methylammonium lead iodide: photoluminescence peak position Verified

See all entries for this property (5 total)

Origin: experimental
Photoluminescence peak position

Crystal system: tetragonal

Temperature, K Photoluminescence peak position, eV
Fixed parameters:
  • excitation wavelength = 405.0 nm
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
System description
Dimensionality: D
Sample type: film

Starting materials: Methylamine (40% in methanol), hydroiodic acid (57 wt% in water), PbI2, g-butyrolactone, H2O2, NH4OH, Si wafer

Product: MAPbI3 film

Description: React 30 mL of methylamine and 32.3 mL of hydroiodic acid at 0 °C for 2 h. Evaporate solvents at 50 °C. Wash the yellowish raw CH3NH3I with diethyl ether by stirring the solution for 30min for a total of three times. Recrystallize CH3NH3I from a mixed solvent of diethyl ether and ethanol. Collect the solid and dry at 60 °C in a vacuum oven for 24 h. Treat Si wafer with an aqueous solution of H2O2 and NH4OH with a volume ratio of H2O2 : NH4OH : H2O = 1 : 1 : 5 for 30 min. Drop a 40 wt% precursor solution of equimolar CH3NH3I and PbI2 in g-butyrolactone onto the Si wafer to form the MAPbI3 film. Spin-coat at 1500 rpm for 30 s, and then at 2500 rpm for 40 min in air. Upon drying at room temperature, color change indicates the formation of MAPbI3 in the solid state. Anneal the MAPbI3 film in air for 15 min at 100 °C.

Method: Photoluminescence

Description: Steady-state and time-resolved PL spectra were measured using an Edinburgh FLS920 spectroscopy system using laser excitation at 405 nm. PL peak is due to the near-band-edge transition. Refer to Results and discussion paragraph 2; Fig. 2(a) Peak_T.

Comment: Grain size were: 100-500 nm diameter

Extraction method: Manual entry
Entry added on: March 25, 2019, 3:02 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: Aug. 30, 2022, 5:39 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 134 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!

Methylammonium lead iodide: atomic structure Verified

See all entries for this property (35 total)

Origin: experimental (T = 300.0 K, 250.0 K, 200.0 K, 180.0 K)
Lattice parameters #1

Crystal system: tetragonal

a:8.866 (±0.001) Å
b:12.668 (±0.001) Å
c:8.866 (±0.001) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 300.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #2

Crystal system: tetragonal

a:8.83 (±0.001) Å
b:12.683 (±0.001) Å
c:8.83 (±0.001) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 250.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #3

Crystal system: tetragonal

a:8.79 (±0.002) Å
b:12.662 (±0.003) Å
c:8.79 (±0.002) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 200.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #4

Crystal system: tetragonal

a:8.791 (±0.001) Å
b:12.678 (±0.001) Å
c:8.791 (±0.001) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 180.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
System description
Dimensionality: D
Sample type: film

Starting materials: Methylamine (40% in methanol), hydroiodic acid (57 wt% in water), PbI2, g-butyrolactone, H2O2, NH4OH, Si wafer

Product: MAPbI3 film

Description: React 30 mL of methylamine and 32.3 mL of hydroiodic acid at 0 °C for 2 h. Evaporate solvents at 50 °C. Wash the yellowish raw CH3NH3I with diethyl ether by stirring the solution for 30min for a total of three times. Recrystallize CH3NH3I from a mixed solvent of diethyl ether and ethanol. Collect the solid and dry at 60 °C in a vacuum oven for 24 h. Treat Si wafer with an aqueous solution of H2O2 and NH4OH with a volume ratio of H2O2: NH4OH: H2O = 1: 1: 5 for 30 min. Drop a 40 wt% precursor solution of equimolar CH3NH3I and PbI2 in g-butyrolactone onto the Si wafer to form the MAPbI3 film. Spin-coat at 1500 rpm for 30 s, and then at 2500 rpm for 40 min in air. Upon drying at room temperature, color change indicates the formation of MAPbI3 in the solid state. Anneal the MAPbI3 film in air for 15 min at 100 °C.

Method: Powder X-ray diffraction

Description: The MAPbI3 film was characterized by X-ray diffraction (XRD) on a PANalytical X-ray diffractometer (Model EMPYREAN) with a monochromatic Cu Ka1 radiation. The lattice parameters were precisely determined using Si powders as the internal standard reference material. Refer to ESI Table SI.

Extraction method: Manual entry
Entry added on: April 10, 2019, 7:10 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: Aug. 31, 2022, 1:22 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 187 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!

Methylammonium lead iodide: atomic structure Verified

See all entries for this property (35 total)

Origin: experimental (T = 150.0 K, 140.0 K, 130.0 K, 120.0 K, 110.0 K, 100.0 K, 90.0 K, 75.0 K, 50.0 K, 25.0 K, 13.0 K)
Lattice parameters #1

Crystal system: orthorhombic

a:8.825 (±0.004) Å
b:12.682 (±0.005) Å
c:8.594 (±0.003) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 150.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #2

Crystal system: orthorhombic

a:8.869 (±0.001) Å
b:12.628 (±0.001) Å
c:8.587 (±0.001) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 140.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #3

Crystal system: orthorhombic

a:8.868 (±0.001) Å
b:12.625 (±0.002) Å
c:8.594 (±0.001) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 130.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #4

Crystal system: orthorhombic

a:8.868 (±0.002) Å
b:12.621 (±0.001) Å
c:8.594 (±0.002) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 120.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #5

Crystal system: orthorhombic

a:8.868 (±0.002) Å
b:12.623 (±0.001) Å
c:8.592 (±0.002) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 110.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #6

Crystal system: orthorhombic

a:8.864 (±0.001) Å
b:12.62 (±0.001) Å
c:8.587 (±0.001) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 100.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #7

Crystal system: orthorhombic

a:8.866 (±0.001) Å
b:12.619 (±0.001) Å
c:8.583 (±0.002) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 90.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #8

Crystal system: orthorhombic

a:8.864 (±0.001) Å
b:12.618 (±0) Å
c:8.581 (±0.003) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 75.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #9

Crystal system: orthorhombic

a:8.863 (±0.001) Å
b:12.614 (±0.001) Å
c:8.577 (±0.001) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 50.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #10

Crystal system: orthorhombic

a:8.856 (±0.002) Å
b:12.613 (±0) Å
c:8.574 (±0.003) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 25.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
Lattice parameters #11

Crystal system: orthorhombic

a:8.855 (±0.002) Å
b:12.614 (±0) Å
c:8.571 (±0.002) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 13.0 K
W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
System description
Dimensionality: D
Sample type: film

Starting materials: Methylamine (40% in methanol), hydroiodic acid (57 wt% in water), PbI2, g-butyrolactone, H2O2, NH4OH, Si wafer

Product: MAPbI3 film

Description: React 30 mL of methylamine and 32.3 mL of hydroiodic acid at 0 °C for 2 h. Evaporate solvents at 50 °C. Wash the yellowish raw CH3NH3I with diethyl ether by stirring the solution for 30min for a total of three times. Recrystallize CH3NH3I from a mixed solvent of diethyl ether and ethanol. Collect the solid and dry at 60 °C in a vacuum oven for 24 h. Treat Si wafer with an aqueous solution of H2O2 and NH4OH with a volume ratio of H2O2 : NH4OH : H2O = 1 : 1 : 5 for 30 min. Drop a 40 wt% precursor solution of equimolar CH3NH3I and PbI2 in g-butyrolactone onto the Si wafer to form the MAPbI3 film. Spin-coat at 1500 rpm for 30 s, and then at 2500 rpm for 40 min in air. Upon drying at room temperature, color change indicates the formation of MAPbI3 in the solid state. Anneal the MAPbI3 film in air for 15 min at 100 °C.

Method: Powder X-ray diffraction

Description: The MAPbI3 film was characterized by X-ray diffraction (XRD) on a PANalytical X-ray diffractometer (Model EMPYREAN) with a monochromatic Cu Ka1 radiation. The lattice parameters were precisely determined using Si powders as the internal standard reference material. Refer to ESI Table SI.

Extraction method: Manual entry
Entry added on: April 10, 2019, 7:21 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: Aug. 31, 2022, 1:23 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 188 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!

Methylammonium lead iodide: phase transition temperature Verified

See all entries for this property (20 total)

Origin: experimental
Phase transition
Initial crystal system orthorhombic
Final crystal system tetragonal
Initial space group Unknown
Final space group Unknown
Direction Unknown
Phase transition temperature 140.0 K

Hysteresis: 10

W. Kong, Z. Ye, Z. Qi, B. Zhang, M. Wang, A. Rahimi-Iman, and H. Wu, Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3, Physical Chemistry Chemical Physics 17, 16405‑16411 (2015). doi: 10.1039/C5CP02605A.
System description
Dimensionality: D
Sample type: film

Starting materials: Methylamine (40% in methanol), hydroiodic acid (57 wt% in water), PbI2, g-butyrolactone, H2O2, NH4OH, Si wafer

Product: MAPbI3 film

Description: React 30 mL of methylamine and 32.3 mL of hydroiodic acid at 0 °C for 2 h. Evaporate solvents at 50 °C. Wash the yellowish raw CH3NH3I with diethyl ether by stirring the solution for 30min for a total of three times. Recrystallize CH3NH3I from a mixed solvent of diethyl ether and ethanol. Collect the solid and dry at 60 °C in a vacuum oven for 24 h. Treat Si wafer with an aqueous solution of H2O2 and NH4OH with a volume ratio of H2O2 : NH4OH : H2O = 1 : 1 : 5 for 30 min. Drop a 40 wt% precursor solution of equimolar CH3NH3I and PbI2 in g-butyrolactone onto the Si wafer to form the MAPbI3 film. Spin-coat at 1500 rpm for 30 s, and then at 2500 rpm for 40 min in air. Upon drying at room temperature, color change indicates the formation of MAPbI3 in the solid state. Anneal the MAPbI3 film in air for 15 min at 100 °C.

Method: Powder X-ray diffraction

Description: No experimental details. Coexistence of the two phases at T from 150 to 130 K.

Entry added on: June 18, 2019, 11:59 a.m.
Entry added by: Xiaochen Du Duke University
Last updated on: Aug. 31, 2022, 2:44 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 450 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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All data is available under the Creative Commons license with attribution clause, described here and, in its full text, here.