High Members of the 2D Ruddlesden-Popper Halide Perovskites

Synthesis, Optical Properties, and Solar Cells of (CH3(CH2)3NH3)2(CH3NH3)4Pb5I16

Constantinos C. Stoumpos, Chan Myae Myae Soe, Hsinhan Tsai, Wanyi Nie, Jean Christophe Blancon, Duyen H. Cao, Fangze Liu, Boubacar Traoré, Claudine Katan, Jacky Even, Aditya D. Mohite, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

105 Citations (Scopus)

Abstract

Here, we present the fifth member (n = 5) of the Ruddlesden-Popper (CH3(CH2)3NH3)2(CH3NH3)n−1PbnI3n+1 family, which we successfully synthesized in high yield and purity. Phase purity could be clearly determined from its X-ray powder diffraction patterns, which feature the (0k0) Bragg reflections at low 2θ angles. The obtained pure n = 5 compound was confirmed to be a direct band-gap semiconductor with Eg = 1.83 eV. The direct nature of the band gap is supported by density functional theory calculations. Intense photoluminescence was observed at room temperature at 678 nm arising from the band edge of the material. High-quality thin films can be prepared by the hot-casting method from solutions with a pure-phase compound as a precursor. The planar solar cells fabricated with n = 5 thin films demonstrate excellent power-conversion efficiency of 8.71% with an impressive open-circuit voltage of ∼1 V. Our results point to the use of layered perovskites with higher n numbers and pure chemical composition.

Original languageEnglish
Pages (from-to)427-440
Number of pages14
JournalChem
Volume2
Issue number3
DOIs
Publication statusPublished - Mar 9 2017

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Powder Diffraction
Semiconductors
halide
X-Ray Diffraction
optical property
Solar cells
Energy gap
Optical properties
Thin films
Temperature
Open circuit voltage
X ray powder diffraction
Diffraction patterns
Conversion efficiency
Density functional theory
Photoluminescence
Casting
chemical composition
X-ray diffraction
Semiconductor materials

Keywords

  • crystal structure
  • DFT calculations
  • halide perovskites
  • quantum wells
  • Ruddlesden-Popper perovskites
  • solar cells

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Biochemistry
  • Environmental Chemistry
  • Materials Chemistry
  • Biochemistry, medical

Cite this

High Members of the 2D Ruddlesden-Popper Halide Perovskites : Synthesis, Optical Properties, and Solar Cells of (CH3(CH2)3NH3)2(CH3NH3)4Pb5I16. / Stoumpos, Constantinos C.; Soe, Chan Myae Myae; Tsai, Hsinhan; Nie, Wanyi; Blancon, Jean Christophe; Cao, Duyen H.; Liu, Fangze; Traoré, Boubacar; Katan, Claudine; Even, Jacky; Mohite, Aditya D.; Kanatzidis, Mercouri G.

In: Chem, Vol. 2, No. 3, 09.03.2017, p. 427-440.

Research output: Contribution to journalArticle

Stoumpos, CC, Soe, CMM, Tsai, H, Nie, W, Blancon, JC, Cao, DH, Liu, F, Traoré, B, Katan, C, Even, J, Mohite, AD & Kanatzidis, MG 2017, 'High Members of the 2D Ruddlesden-Popper Halide Perovskites: Synthesis, Optical Properties, and Solar Cells of (CH3(CH2)3NH3)2(CH3NH3)4Pb5I16', Chem, vol. 2, no. 3, pp. 427-440. https://doi.org/10.1016/j.chempr.2017.02.004
Stoumpos, Constantinos C. ; Soe, Chan Myae Myae ; Tsai, Hsinhan ; Nie, Wanyi ; Blancon, Jean Christophe ; Cao, Duyen H. ; Liu, Fangze ; Traoré, Boubacar ; Katan, Claudine ; Even, Jacky ; Mohite, Aditya D. ; Kanatzidis, Mercouri G. / High Members of the 2D Ruddlesden-Popper Halide Perovskites : Synthesis, Optical Properties, and Solar Cells of (CH3(CH2)3NH3)2(CH3NH3)4Pb5I16. In: Chem. 2017 ; Vol. 2, No. 3. pp. 427-440.
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abstract = "Here, we present the fifth member (n = 5) of the Ruddlesden-Popper (CH3(CH2)3NH3)2(CH3NH3)n−1PbnI3n+1 family, which we successfully synthesized in high yield and purity. Phase purity could be clearly determined from its X-ray powder diffraction patterns, which feature the (0k0) Bragg reflections at low 2θ angles. The obtained pure n = 5 compound was confirmed to be a direct band-gap semiconductor with Eg = 1.83 eV. The direct nature of the band gap is supported by density functional theory calculations. Intense photoluminescence was observed at room temperature at 678 nm arising from the band edge of the material. High-quality thin films can be prepared by the hot-casting method from solutions with a pure-phase compound as a precursor. The planar solar cells fabricated with n = 5 thin films demonstrate excellent power-conversion efficiency of 8.71{\%} with an impressive open-circuit voltage of ∼1 V. Our results point to the use of layered perovskites with higher n numbers and pure chemical composition.",
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