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

Band gap (optical, diffuse reflectance)
thermodynamic phase
Origin: experimental (T = 298.0 K)
Space group: P 6₃/m
Band gap (optical, diffuse reflectance)

Crystal system: hexagonal

Band gap (optical, diffuse reflectance), eV
Fixed parameters:
  • temperature = 298.0 K
C. C. Stoumpos, L. Mao, C. D. Malliakas, and M. G. Kanatzidis, Structure−Band Gap Relationships in Hexagonal Polytypes and Low- Dimensional Structures of Hybrid Tin Iodide Perovskites, Inorganic Chemistry 56, 56‑73 (2016). doi: 10.1021/acs.inorgchem.6b02764.
System description
Dimensionality: D
Sample type: bulk polycrystalline
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: distilled HI (aqueous 99.95%), H3PO2 (50% aqueous), SnI2 (synthesized from Sn granules, and I2 (99.8%)), C(NH2)3I (synthesized from (C(NH2)3)2CO3 (99%) and HI)

Product: Orange hexagonal needles

Description: Two-necked flask was charged with aqueous HI (6.8 mL, 7.58 M) and aqueous H3PO2 (1.7 mL, 9.14 M). Nitrogen was passed through the liquid to degass the solution. SnI2 (372 mg, 1 mmol) was dissolved in solution, and flask was heated to boiling (~130 ºC) via an oil bath. A bright yellow solution formed under magnetic stirring. Solid C(NH2)3I (187 mg, 1 mmol) was added to the solution. The solution was evaporated to half its volume by boiling at 120 ºC and was held at the same temperature for 2 h.

Method: UV-vis absorption (diffuse reflectance)

Description: Diffuse-reflectance measurements were performed and collected at room temperature. A Shimadzu UV-3600 PC double-beam and double monochromator spectrophotometer (operating between 200 to 2500 nm) was used.BaSO4 was used as a nonabsorbing reflectance reference. Generated reflectance v. wavelength data was used to estimate the band gap. The Kubelka-Munk equation α/S = (1-R)^{2}/(2R) was used.

C. C. Stoumpos, L. Mao, C. D. Malliakas, and M. G. Kanatzidis, Structure−Band Gap Relationships in Hexagonal Polytypes and Low- Dimensional Structures of Hybrid Tin Iodide Perovskites, Inorganic Chemistry 56, 56‑73 (2016). doi: 10.1021/acs.inorgchem.6b02764.

Extraction method: Manually extracted from a publication
Entry added on: July 13, 2020, 1:45 a.m.
Entry added by: Rebecca Lau Duke University
Last updated on: Aug. 2, 2022, 6:57 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1279 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 (2 total)

thermodynamic phase
Origin: experimental (T = 298.0 K)
Space group: P 6₃/m
C. C. Stoumpos, L. Mao, C. D. Malliakas, and M. G. Kanatzidis, Structure−Band Gap Relationships in Hexagonal Polytypes and Low- Dimensional Structures of Hybrid Tin Iodide Perovskites, Inorganic Chemistry 56, 56‑73 (2016). doi: 10.1021/acs.inorgchem.6b02764.
System description
Dimensionality: D
Sample type: bulk polycrystalline
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: distilled HI (aqueous 99.95%), H3PO2 (50% aqueous), SnI2 (synthesized from Sn granules, and I2 (99.8%)), C(NH2)3I (synthesized from (C(NH2)3)2CO3 (99%) and HI)

Product: Orange hexagonal needles

Description: Two-necked flask was charged with aqueous HI (6.8 mL, 7.58 M) and aqueous H3PO2 (1.7 mL, 9.14 M). Nitrogen was passed through the liquid to degass the solution. SnI2 (372 mg, 1 mmol) was dissolved in solution, and flask was heated to boiling (~130 ºC) via an oil bath. A bright yellow solution formed under magnetic stirring. Solid C(NH2)3I (187 mg, 1 mmol) was added to the solution. The solution was evaporated to half its volume by boiling at 120 ºC and was held at the same temperature for 2 h.

Method: UV-vis absorption (diffuse reflectance)

Description: Diffuse-reflectance measurements were performed and collected at room temperature. A Shimadzu UV-3600 PC double-beam and double monochromator spectrophotometer (operating between 200 to 2500 nm) was used.BaSO4 was used as a nonabsorbing reflectance reference.

C. C. Stoumpos, L. Mao, C. D. Malliakas, and M. G. Kanatzidis, Structure−Band Gap Relationships in Hexagonal Polytypes and Low- Dimensional Structures of Hybrid Tin Iodide Perovskites, Inorganic Chemistry 56, 56‑73 (2016). doi: 10.1021/acs.inorgchem.6b02764.

Extraction method: Engauge Digitizer
Entry added on: July 13, 2020, 1:59 a.m.
Entry added by: Rebecca Lau Duke University
Last updated on: Aug. 2, 2022, 7:04 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1282 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

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