These data sets are directly related (linked) to each other

Band gap (optical, integrating sphere)
Band gap determined from a Tauc plot
Origin: experimental (T = 298.0 K)
Band gap (optical, integrating sphere)

Crystal system: unknown

Band gap (optical, integrating sphere), eV
Fixed parameters:
  • temperature = 298.0 K
G. Eperon, S. Stranks, C. Menelaou, M. Johnston, L. Herz, and H. Snaith, Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells, Energy & Environmental Science 7, 982‑988 (2014). doi: 10.1039/c3ee43822h.
System description
Dimensionality: D
Sample type: film
Related data

Starting materials: CsI, PbI2, dimethyl sulfoxide

Product: CsPbI3 film

Description: Equimolar amounts of CsI and PbI2 were dissolved in dimethyl sulfoxide at 0.6M, in a nitrogen-filled glovebox. Films were spin-coated at 2000rpm and annealed at 100 degrees C for 5 minutes in the glovebox.

Method: Optical absorption

Description: Transmittance and reflectance spectra were collected with a Varian Cary 300 UV-Vis spectrophotometer with an internally coupled integrating sphere. Estimated band gap was determined from the extrapolation of the linear region to the energy-axis intercept in the direct bandgap Tauc plot.

G. Eperon, S. Stranks, C. Menelaou, M. Johnston, L. Herz, and H. Snaith, Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells, Energy & Environmental Science 7, 982‑988 (2014). doi: 10.1039/c3ee43822h.

Extraction method: manual entry, page 983 paragraph 5; Fig. 1c.; ESI: 5. Tauc plot
Entry added on: May 9, 2019, 2:30 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: April 18, 2022, 1:19 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 367 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!

Atomic structure
Orthorhombic Black‐Phase CsPbI₃: Rietveld refinement of powder XRD data at 293 K
Origin: experimental (T = 293.0 K)
Space group: P n a m
Lattice parameters

Crystal system: orthorhombic

a:8.856 Å
b:8.576 Å
c:12.472 Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 293.0 K
R. Sutton, M. R. Filip, A. A. Haghighirad, N. Sakai, B. Wenger, F. Giustino, and H. J. Snaith, Cubic or Orthorhombic? Revealing the Crystal Structure of Metastable Black-Phase CsPbI3 by Theory and Experiment, ACS Energy Letters ACS Energy Lett. 3, 1787‑1794 (2018). doi: 10.1021/acsenergylett.8b00672.
System description
Dimensionality: D
Sample type: powder

Starting materials: CsI (Alfa Aesar, 99.9%), PbI2 (TCI)

Product: Black-phase CsPbI3 powder

Description: Stoichiometric quantities of CsI (Alfa Aesar, 99.999%) and PbI2 (Sigma Aldrich, 99.999%) were ground in a mortar and pestle in nitrogen atmosphere for 30 minutes, transferred to a quartz ampoule, and sealed under vacuum. The 2 ampoule was heated to 525 °C for over 72 hours and cooled at 50 °C/hour, to form a solid mass of CsPbI3. This mass was ground into a powder and reheated at 400 °C in batches, each for approximately 20 s (until black to the eye), before being transferred to a piece of room temperature aluminium foil to cool quickly.

Comment: While the paper also describes a synthesis method for CsPbI₃ films, those details are not included here.

Method: X-ray diffraction

Description: A Panalytical X'pert powder diffractometer with Cu anode X-ray source (Cu kα1, 1.54060 Å) was used for XRD characterisation measurements of both powders and films. All measurements were made at 293 K. Anton Paar Domed Sample Holders were used for measurements under nitrogen of black powders and films of CsPbI3. The scratched powders were dropped onto greased quartz discs, and powder from solid state synthesis was prepared as packed powder samples.

R. Sutton, M. R. Filip, A. A. Haghighirad, N. Sakai, B. Wenger, F. Giustino, and H. J. Snaith, Cubic or Orthorhombic? Revealing the Crystal Structure of Metastable Black-Phase CsPbI3 by Theory and Experiment, ACS Energy Letters ACS Energy Lett. 3, 1787‑1794 (2018). doi: 10.1021/acsenergylett.8b00672.

Extraction method: CIF file obtained from the Supporting Information of the publication.
Entry added on: Feb. 18, 2025, 4:15 p.m.
Entry added by: Jakob Jakob Hagedorn Duke University
Last updated on: Feb. 18, 2025, 4:28 p.m.
Last updated by: Jakob Jakob Hagedorn Duke University

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Data set ID: 2677 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

See all entries for this property (3 total)

Origin: experimental (T = 298.0 K)
G. Eperon, S. Stranks, C. Menelaou, M. Johnston, L. Herz, and H. Snaith, Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells, Energy & Environmental Science 7, 982‑988 (2014). doi: 10.1039/c3ee43822h.
System description
Dimensionality: D
Sample type: film

Starting materials: CsI, PbI2, dimethyl sulfoxide

Product: CsPbI3 film

Description: Equimolar amounts of CsI and PbI2 were dissolved in dimethyl sulfoxide at 0.6M, in a nitrogen-filled glovebox. Films were spin-coated at 2000rpm and annealed at 100 degrees C for 5 minutes in the glovebox.

Method: Optical absorption

Description: Transmittance and reflectance spectra were collected with a Varian Cary 300 UV-Vis spectrophotometer with an internally coupled integrating sphere.

G. Eperon, S. Stranks, C. Menelaou, M. Johnston, L. Herz, and H. Snaith, Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells, Energy & Environmental Science 7, 982‑988 (2014). doi: 10.1039/c3ee43822h.

Entry added on: April 17, 2022, 6:34 p.m.
Entry added by: Rayan C Duke University
Last updated on: April 17, 2022, 6:34 p.m.
Last updated by: Rayan C Duke University

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Data set ID: 1957 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.