Bis(phenylethylammonium) lead iodide: exciton binding energy

Exciton binding energy
Origin: experimental (T = 293.0 K)
Space group: P-1
Exciton binding energy

Crystal system: triclinic

Exciton binding energy, eV
Fixed parameters:
  • temperature = 293.0 K
M. Steger, S. M. Janke, P. C. Sercel, B. W. Larson, H. Lu, X. Qin, V. W. Yu, V. Blum, and J. L. Blackburn, On the optical anisotropy in 2D metal-halide perovskites, Nanoscale 14, 752‑765 (2022). doi: 10.1039/d1nr06899g.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: 200 mg (0.90 mmol) of PbO and 200 μL (1.59 mmol) of phenylethylammonium, fully dissolved in 4 mL of HI and 0.5 mL of H3PO2 solution.

Product: Exfoliated single crystal flakes of (PEA)2PbI4.

Description: 2D perovskite PEPI single crystals are synthesized based on previously reported slow-cooling method in Ref. https://dx.doi.org/10.1021/acsenergylett.8b01315. 200 mg (0.90 mmol) of PbO and 200 μL (1.59 mmol) of phenylethyl- ammonium are fully dissolved in 4 mL of HI and 0.5 mL of H3PO2 solution at 90 °C. The solution is then slowly cooled to room temperature at a rate of 2 °C h−1, giving orange sheet-like crystals. The crystals are then isolated from the parent solution by vacuum filtration, washed by a small amount of diethyl ether, and dried under vacuum. Thin crystals were exfoliated from the parent crystal using stiff heat release tape that serves as a handle. Sequential exfoliation steps with the tape yield successively thinner crystals. Many crystals were surveyed to select the best surface quality, flatness, and area.

Comment: Note that, while an XRD pattern was reported in this work, the XRD analysis and the space group were not reported and the space group listed here was taken from DOI: 10.1021/acs.inorgchem.7b01094.

Method: Reflection mode and transmission mode ellipsometry

Description: Transmittance was collected on a Cary 7000 UV-VIS-NIR spectrophotometer. Reflection ellipsometry was collected on a JA Woollam M2000DI at 45° to 75° using tape to suppress backside reflections. Transmission ellipsometry was collected on a JA Woollam M2000DI from −10° to 70°. The three data sets were processed as a multisample analysis in CompleteEASE. For bulk and cleaved crystals, reflection ellipsometry and reflection Mueller Matrix were collected using focus probes and either a JA Woollam M2000 or RC2, respectively.

Comment: Exciton energies were extracted from a uniaxial model of the ellipsometry data (2.385(5) eV in-plane and 2.419(7) eV out-of-plane). The exciton binding energy of 0.259 eV was calculated using ellipsometry dielectric parameters, an electron-hole image charge model and the experimental effective mass of DOI: 10.1021/acs.jpclett.0c03731.

M. Steger, S. M. Janke, P. C. Sercel, B. W. Larson, H. Lu, X. Qin, V. W. Yu, V. Blum, and J. L. Blackburn, On the optical anisotropy in 2D metal-halide perovskites, Nanoscale 14, 752‑765 (2022). doi: 10.1039/d1nr06899g.

Extraction method: from publication by author
Entry added on: March 4, 2023, 5:55 p.m.
Entry added by: Volker Blum Duke University
Last updated on: March 6, 2023, 12:02 p.m.
Last updated by: Volker Blum Duke University

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Data set ID: 2260 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: triclinic

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: PEAI salt, PbI2 salt, stoichiometric ratio 2:1

Product: spin-coated thin film, high crystallinity

Description: Starting materials dissolved in 4:1 DFF:DMSO solvent mixture, stirred for 30 min at room temperature. Substrate: Quartz substrate with 120 nm gold layer with inerdigitated fingers. Precursor solution (0.05-0.1 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: May 31, 2023, 3:23 p.m.
Entry added by: Volker Blum Duke University
Last updated on: May 31, 2023, 3:23 p.m.
Last updated by: Volker Blum Duke University

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Data set ID: 2311 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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