Starting materials: S-1-(1-naphthyl)ethylamine, PbBr2

Product: S-1-(1-naphthyl)ethylammonium lead bromide

Description: A hot solution of PbBr2 (45 mg, 0.12 mmol) and S-1-(1-naphthyl)ethylamine (39 µL, 0.24 mmol ) in 0.5 ml aq. HBr and 1.2 ml deionized water in a sealed vial with an N2 atmosphere was slowly cooled from 95 °C to room temperature over 48 hr. The colorless, plate-like crystals were filtered, washed with diethyl ether, and vacuum-dried.

Method: Single crystal X-ray diffraction

Description: Single crystal X-ray diffraction (XRD) was performed at 298 K on a Rigaku XtaLAB Synergy-S diffractometer using Mo-Kα radiation (λ=0.710 Å) and X-ray tube operating at 50 kV and 30 mA.

M. K. Jana, R. Song, H. Liu, D. R. Khanal, S. M. Janke, R. Zhao, C. Liu, Z. V. Vardeny, V. Blum, and D. B. Mitzi, Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling., Nature Communications 11, 4699-1‑4699-10 (2020). doi: 10.1038/s41467-020-18485-7.

Extraction method: from author
Entry added on: Aug. 4, 2020, 1:52 p.m.
Entry added by: Manoj Kumar Jana Duke University
Last updated on: Aug. 22, 2022, 3:22 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:

• Rayan C Duke University

Code: FHI-aims

Level of theory: DFT

Exchange-correlation functional: PBE

K-point grid: 2×4×4

Level of relativity: atomic ZORA

Basis set definition: NAO

External repositories:

• https://dx.doi.org/10.17172/NOMAD/2020.08.11-1

M. K. Jana, R. Song, H. Liu, D. R. Khanal, S. M. Janke, R. Zhao, C. Liu, Z. V. Vardeny, V. Blum, and D. B. Mitzi, Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling., Nature Communications 11, 4699-1‑4699-10 (2020). doi: 10.1038/s41467-020-18485-7.

Extraction method: from author
Entry added on: Aug. 12, 2020, 2:27 p.m.
Entry added by: Ruyi Song Chemistry department, Duke university
Last updated on: Aug. 12, 2020, 2:27 p.m.
Last updated by: Ruyi Song Chemistry department, Duke university
Data correctness verified by:

• Rayan C Duke University

Code: FHI-aims

Level of theory: DFT

Exchange-correlation functional: HSE06

K-point grid: 3×4×4

Level of relativity: atomic ZORA with SOC

Basis set definition: NAO

Geometry used in the calculation

M. K. Jana, R. Song, H. Liu, D. R. Khanal, S. M. Janke, R. Zhao, C. Liu, Z. V. Vardeny, V. Blum, and D. B. Mitzi, Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling., Nature Communications 11, 4699-1‑4699-10 (2020). doi: 10.1038/s41467-020-18485-7.

Extraction method: from author
Entry added on: Aug. 12, 2020, 2:29 p.m.
Entry added by: Ruyi Song Chemistry department, Duke university
Last updated on: Aug. 12, 2020, 2:29 p.m.
Last updated by: Ruyi Song Chemistry department, Duke university
Data correctness verified by:

• Rayan C Duke University

Starting materials: (S)-(−)-1-(1-naphthyl)ethylamine (>99%, Sigma Aldrich), lead bromide (PbBr2, 99.99%, TCI chemicals) , and hydrobromic acid (HBr) (48 wt% in H2O, >99.99%, Sigma Aldrich)

Product: [S-(−)-1-(1-naphthyl)ethylammonium]2PbBr4

Description: To grow S-NPB perovskite crystals, stoichiometric amounts of PbBr2 (90 mg, 0.24 mmol) and (S)-(−)-1- (1-naphthyl)ethylamine (78 µL, 0.48 mmol) were dissolved in aq. HBr (1.0 mL) and deionized water (2.4 mL) in a sealed vial at 95 °C. The hot solution was slowly cooled to room temperature (21 °C) over a period of 24 h in a water bath, resulting in the formation of colorless plate-like S-NPB single crystals.

Method: Differential Scanning Calorimetry

Description: DSC: Differential Scanning Calorimetry: DSC measurements were performed using a TA Discovery DSC instrument using various ramping rates and temperature ranges (as described in the main text) using a hermetically sealed aluminum pan and lid. Prior to experiments, the DSC setup was calibrated with metallic indium (melting temperature: 156.6 °C; enthalpy of melting: 28.71 J g−1), which upon repeating the experiment showed an acceptable temperature offset of 0.2 °C and melting enthalpy offset of 0.04%. Calibration and the above measurement were carried out at a ramp rate of 5 °C min−1. DSC analyses of crystalline S-NPB and rac-NPB perovskites were carried out by hermetically sealing corresponding crystals (≈5.0 mg) in aluminum pan/lid, and ramping temperature from 25 to 250 °C at a ramp rate of 5 °C min−1. For measurement of S-NPB and R-NPB glasses, samples were prepared by melting S-/R-NPB crystals (≈5.0 mg) in an open aluminum pan and quickly placing it on a metallic steel bench to quench to room temperature. After hermetic sealing, the glassy samples were exposed to a heating cycle with ramp rates of 5°C min−1 over a temperature range from 25 to 185 °C and heated isothermally at 185 °C for a minute, before cooling back to room temperature at ramp rates of 1, 5, and 20 °C min−1. Since the glass transition occurred over a temperature range, the Tg was determined using the midpoint halfheight method. The Tx, Tm, and Td temperatures were calculated using the intersection between the corresponding DSC peak onset with its horizontal baseline. For Tm, the onset temperature signifies the melting temperature of the sample under consideration, whereas the peak temperature corresponds to complete melting of the sample inside the apparatus. The enthalpy of crystallization and melting were calculated by measuring the area under the curve relating heat flow (W g−1)/ramp rate (°C s−1) and temperature. Thermogravimetric Analysis: TGA measurements were performed on a TA Q50 instrument using a 5 °C min−1 ramping rate from 25 to 300 °C under nitrogen gas flow (40 mL min−1) with samples (≈4.5 mg) of single crystals of S-NPB and rac-NPB perovskite. Glassy S-NPB perovskite sample (3.9 mg) for TGA measurement was prepared by scratching off the melt-quenched glass prepared on soda lime glass substrates

A. Singh, M. K. Jana, and D. B. Mitzi, Reversible Crystal–Glass Transition in a Metal Halide Perovskite, Advanced Materials 33, 2005868‑2005868 (2020). doi: 10.1002/adma.202005868.

Extraction method: Manual
Entry added on: March 7, 2021, 11:35 p.m.
Entry added by: Akash Singh
Last updated on: Aug. 28, 2022, 5:29 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:

• Rayan C Duke University

Starting materials: (S)-(−)-1-(1-naphthyl)ethylamine (≥99%, Sigma–Aldrich), lead bromide (PbBr2, ≥98%, Sigma–Aldrich chemicals), hydrobromic acid (HBr) (48 wt.% in H2O, >99.99%, Sigma–Aldrich), diethyl ether (Anhydrous (≥99, Fisher Chemical, stabilized with BHT), 2-methoxyethanol (anhydrous, 99.8%, Sigma–Aldrich)

Product: (S-NEA)2PbBr4

Description: lead (II) bromide (90 mg, 0.24 mmol) was dissolved in 1.0 mL of concentrated hydrobromic acid by heating at 90 °C for <5 min. The solution was cooled to room temperature and 2.4 mL DI water was slowly added. (S)-(-)-1-(1-napthyl)ethylamine (78 µL, 0.48 mmol) was then added and the mixture was dissolved in a sealed vial at 90 °C overnight while stirring. The solution was cooled to room temperature at a rate of 1 °C h−1 in an aluminum heating block. The (S-NEA)2PbBr4 crystals were collected via vacuum filtrations and the crystals were washed with 20 mL of diethyl ether three times. The crystals were then dried overnight in a vacuum oven at 55 °C, 150 Torr.

Method: Circular dichroism spectroscopy

Description: Circular dichroism (CD) measurements were performed on thin films of S‑NPB and R‑NPB, which are known to exhibit measurable excitonic CD features. The CD spectra display opposite polarities for the S and R enantiomers, consistent with their reversed polar distortions and spin textures. The measured CD reflects contributions from the lowest exciton as well as the interband continuum, and shows a clear correlation between structural chirality, spin‑texture reversal, and CD sign reversal in the thin films.

P. Sercel, M. Hautzinger, R. Song, V. Blum, and M. Beard, Optical Activity of Chiral Excitons, Advanced Materials, Wiley 37, N/A‑N/A (2025). doi: https://doi.org/10.1002/adma.202415901.

Extraction method: from author
Entry added on: Jan. 18, 2026, 7:32 p.m.
Entry added by: tao lu
Last updated on: Jan. 18, 2026, 7:48 p.m.
Last updated by: tao lu

Starting materials: (S)-(−)-1-(1-naphthyl)ethylamine (≥99%, Sigma–Aldrich), lead bromide (PbBr2, ≥98%, Sigma–Aldrich chemicals), hydrobromic acid (HBr) (48 wt.% in H2O, >99.99%, Sigma–Aldrich), diethyl ether (Anhydrous (≥99, Fisher Chemical, stabilized with BHT), 2-methoxyethanol (anhydrous, 99.8%, Sigma–Aldrich)

Product: (S-NEA)2PbBr4

Description: lead (II) bromide (90 mg, 0.24 mmol) was dissolved in 1.0 mL of concentrated hydrobromic acid by heating at 90 °C for <5 min. The solution was cooled to room temperature and 2.4 mL DI water was slowly added. (S)-(-)-1-(1-napthyl)ethylamine (78 µL, 0.48 mmol) was then added and the mixture was dissolved in a sealed vial at 90 °C overnight while stirring. The solution was cooled to room temperature at a rate of 1 °C h−1 in an aluminum heating block. The (S-NEA)2PbBr4 crystals were collected via vacuum filtrations and the crystals were washed with 20 mL of diethyl ether three times. The crystals were then dried overnight in a vacuum oven at 55 °C, 150 Torr.

Method: Circular dichroism spectroscopy

Description: Circular dichroism (CD) measurements were performed on thin films of S‑NPB and R‑NPB, which are known to exhibit measurable excitonic CD features. The CD spectra display opposite polarities for the S and R enantiomers, consistent with their reversed polar distortions and spin textures. The measured CD reflects contributions from the lowest exciton as well as the interband continuum, and shows a clear correlation between structural chirality, spin‑texture reversal, and CD sign reversal in the thin films.

P. Sercel, M. Hautzinger, R. Song, V. Blum, and M. Beard, Optical Activity of Chiral Excitons, Advanced Materials, Wiley 37, N/A‑N/A (2025). doi: https://doi.org/10.1002/adma.202415901.

Extraction method: from author
Entry added on: Jan. 18, 2026, 7:38 p.m.
Entry added by: tao lu
Last updated on: Jan. 18, 2026, 7:46 p.m.
Last updated by: tao lu