butylammonium tin iodide

Chemical Formula: C8H22N2SnI6
IUPAC: bis(butane-1-aminium) tin iodide
Alternate Names: bis(butane-1-aminium) hexaiodostannate(II), BA2SnI4
Organic: C4H11N
Inorganic: SnI6, Tin iodide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 8 , H : 22 , N : 2 , Sn : 1 , I : 6
Atomic structure Verified
Origin: experimental (T = 273.2 K)
Space group: P b c a
Lattice parameters

Crystal system: orthorhombic

a:8.81400013 Å
b:8.590999603 Å
c:27.6439991 Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 273.2 K
Y. Takahashi, R. Obara, K. Nakagawa, M. Nakano, J. Tokita, and T. Inabe, Tunable Charge Transport in Soluble Organic–Inorganic Hybrid Semiconductors, Chemistry of Materials 19, 6312‑6316 (2007). doi: 10.1021/cm702405c.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: HI, H3PO2, Ethanol, SnI2, butylammonium iodide (BAI)

Product: dark purple plate-like crystals

Description: In an inert atmosphere, stoichiometric quantities of BAI and SnI2 were added to HI. The solution was heated to 75°C to dissolve the solids and subsequently cooled to 5 °C at a rate of 1.5 °C/hour.

Method: Single-crystal X-ray diffraction

Description: Data were recorded using a Rigaku R-AXIS rapid imaging plate diffractometer with graphite-monochromated Mo Kα radiation (λ = 0.71069 Å).

Y. Takahashi, R. Obara, K. Nakagawa, M. Nakano, J. Tokita, and T. Inabe, Tunable Charge Transport in Soluble Organic–Inorganic Hybrid Semiconductors, Chemistry of Materials 19, 6312‑6316 (2007). doi: 10.1021/cm702405c.

Entry added on: Sept. 7, 2019, 1:43 p.m.
Entry added by: Sampreeti Bhattacharya UNC Chapel Hill
Last updated on: June 22, 2022, 8:26 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 657 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 coordinates


Band gap (fundamental)
Method: Electroabsorption
Origin: experimental (T = 15.0 K)
Band gap (fundamental)

Crystal system: unknown

Band gap (fundamental), eV
Fixed parameters:
  • temperature = 15.0 K
K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: BAI salt, SnI2 salt, stoichiometric ratio 2:1

Product: spin-coated thin film

Description: Starting materials dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 min at room temperature. Substrate: quartz substrate with 120 nm gold layer of interdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and spin-coated, 4000 rpm / 30 seconds, targeting film thicknesses 80-300 nm.

Method: Electroabsorption

Description: Films were spin-coated onto interdigitated Au electrode array - 45 micron distance between opposing fingers. Samples mounted in cryostat with Cu wires soldered to opposing electrode stripes. Xe lamp light spectrally filtered, focused on sample and subsequently on UV-enhanced Si photodiode detector. Sample transmission, substrate transmission, and sample electrotransmission were collected in independent scans.Absorbance and electroabsorbance were then calculated from the respective transmissions. The fundamental gap is determined by the crossover point of absorption curves measured under different electric fields in the fundamental band gap region.

Comment: Significantly more detail in paper.

K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.

Extraction method: Manual from article (Table S1)
Entry added on: June 8, 2023, 9:52 p.m.
Entry added by: Kelly Ma
Last updated on: June 8, 2023, 10:25 p.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2319 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!

Exciton binding energy
Method: Electroabsorption
Origin: experimental (T = 15.0 K)
Exciton binding energy

Crystal system: unknown

Exciton binding energy, eV
Fixed parameters:
  • temperature = 15.0 K
K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: BAI salt, SnI2 salt, stoichiometric ratio 2:1

Product: spin-coated thin film

Description: Starting materials dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 min at room temperature. Substrate: quartz substrate with 120 nm gold layer of interdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and spin-coated, 4000 rpm / 30 seconds, targeting film thicknesses 80-300 nm.

Method: Electroabsorption

Description: Films were spin-coated onto interdigitated Au electrode array - 45 micron distance between opposing fingers. Samples mounted in cryostat with Cu wires soldered to opposing electrode stripes. Xe lamp light spectrally filtered, focused on sample and subsequently on UV-enhanced Si photodiode detector. Sample transmission, substrate transmission, and sample electrotransmission were collected in independent scans.Absorbance and electroabsorbance were then calculated from the respective transmissions. The exciton binding energy arises as the difference of the 1s exciton peak energy observed in conventional absorption and the fundamental gap as determined by the crossover point of absorption curves measured under different electric fields in the fundamental band gap region.

Comment: Significantly more detail in paper.

K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.

Extraction method: Manual from article (Table S1)
Entry added on: June 8, 2023, 9:54 p.m.
Entry added by: Kelly Ma
Last updated on: June 8, 2023, 10:24 p.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2320 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!

Exciton energy
Method: Electroabsorption
Origin: experimental (T = 15.0 K)
Exciton energy

Crystal system: unknown

Exciton energy, eV
Fixed parameters:
  • temperature = 15.0 K
K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: BAI salt, SnI2 salt, stoichiometric ratio 2:1

Product: spin-coated thin film

Description: Starting materials dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 min at room temperature. Substrate: quartz substrate with 120 nm gold layer of interdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and spin-coated, 4000 rpm / 30 seconds, targeting film thicknesses 80-300 nm.

Method: Electroabsorption

Description: Films were spin-coated onto interdigitated Au electrode array - 45 micron distance between opposing fingers. Samples mounted in cryostat with Cu wires soldered to opposing electrode stripes. Xe lamp light spectrally filtered, focused on sample and subsequently on UV-enhanced Si photodiode detector. Sample transmission, substrate transmission, and sample electrotransmission were collected in independent scans. Absorbance and electroabsorbance were then calculated from the respective transmissions.

Comment: Significantly more detail in paper.

K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.

Extraction method: Manual from article (Table S1)
Entry added on: June 8, 2023, 9:55 p.m.
Entry added by: Kelly Ma
Last updated on: June 8, 2023, 10:25 p.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2321 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.