Issue 12, 2024

Achieving strong second harmonic generation effects induced via dimensional increase of PbX6 octahedra and halogen substitutes in (C10H11N3)PbX4 (X = Cl or Br)

Abstract

Obtaining noncentrosymmetric structures and achieving desired performance indicators in nonlinear optics (NLO) are ongoing challenges. In this work, the rational design of an A-site cation (di(pyridin-4-yl)amine cation, [C10H11N3]), stereochemically active lone pair cation (Pb2+) and halogen substitutes in hybrid metal halide perovskites (ABX3) was utilized to obtain two novel NLO crystals, (C10H11N3)PbX4 (X = Cl or Br), achieving desirable NLO performance, including pronounced anisotropy of second harmonic generation (SHG). Through the introduction of PbX6 octahedrons in the (C10H11N3)BX4 system, compounds transformed from zero-dimensional to one-dimensional structures, resulting in significantly enhanced SHG activity. By controlling the halogen atoms, the SHG effect and birefringence of (C10H11N3)PbX4 were further improved. Experimental and theoretical studies validated that the improved NLO performance in the (C10H11N3)PbX4 system is closely related to the modulation of the octahedral distortion of PbX6. The successful utilization of such structural dimension evolution and halogen substitution strategy offers a universal way for the rational regulation of crystal structures and optoelectronic performance of hybrid metal halide perovskites.

Graphical abstract: Achieving strong second harmonic generation effects induced via dimensional increase of PbX6 octahedra and halogen substitutes in (C10H11N3)PbX4 (X = Cl or Br)

Supplementary files

Article information

Article type
Research Article
Submitted
02 Apr 2024
Accepted
06 May 2024
First published
08 May 2024

Inorg. Chem. Front., 2024,11, 3618-3625

Achieving strong second harmonic generation effects induced via dimensional increase of PbX6 octahedra and halogen substitutes in (C10H11N3)PbX4 (X = Cl or Br)

L. Zhang, Q. Ding, P. Wang, Y. Zhang, Q. Liu, Y. Wang and J. Luo, Inorg. Chem. Front., 2024, 11, 3618 DOI: 10.1039/D4QI00832D

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