Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

Coordination-Dependent Exciton Dynamics and Scintillation in 0D Sb3+-Based Organic-Inorganic Hybrid Metal Halides

Liang, Mingli LU ; Liu, Kun ; Li, Le ; Zou, Mingxin ; Zheng, Kaibo LU ; Wang, Sasa ; Liu, Shujuan ; Liu, Xiangmei and Zhao, Qiang (2026) In Advanced Optical Materials 14(25).
Abstract

0D Sb3+-based organic-inorganic hybrid metal halide (OIMH) scintillators have gained significant attention due to their efficient self-trapped exciton (STE) emission. However, the interplay between local structural distortion, defect-states, and STE emission remains insufficiently understood. Herein, two structurally distinct 0D Sb3+-based OIMHs, [HP(o-tol)3]2SbBr5 and [HP(m-tol)3]4SbBr7, are investigated to elucidate structure-property relationships governing exciton dynamics. Specifically, [HP(o-tol)3]2SbBr5 features a highly distorted [SbBr5]2− square pyramid with an active lone... (More)

0D Sb3+-based organic-inorganic hybrid metal halide (OIMH) scintillators have gained significant attention due to their efficient self-trapped exciton (STE) emission. However, the interplay between local structural distortion, defect-states, and STE emission remains insufficiently understood. Herein, two structurally distinct 0D Sb3+-based OIMHs, [HP(o-tol)3]2SbBr5 and [HP(m-tol)3]4SbBr7, are investigated to elucidate structure-property relationships governing exciton dynamics. Specifically, [HP(o-tol)3]2SbBr5 features a highly distorted [SbBr5]2− square pyramid with an active lone pair, whereas [HP(m-tol)3]4SbBr7 contains a symmetric [SbBr6]3− octahedron with an inactive lone pair. Despite stronger distortion, the former exhibits a low photoluminescence quantum yield (PLQY) of 6%, while the latter achieves a high PLQY of 81%. Through combined photophysical analysis and first-principles calculations, we reveal that the stronger distortion induces defect-states, which compete with STE emission and lead to enhanced non-radiative losses. Consequently, [HP(m-tol)3]4SbBr7 demonstrates promising X-ray scintillation performance, with a light yield (LY) of 12200 ± 200 photons MeV−1. This performance enabled the fabrication of flexible [HP(m-tol)3]4SbBr7@SEBS scintillator films, achieving a spatial resolution of 8.0 lp mm−1 and high-quality 2D & 3D X-ray imaging and tomography, offering a promising path for future medical and industrial inspection technologies.

(Less)
Please use this url to cite or link to this publication:
author
; ; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
3D X-ray imaging, Sb-based organic-inorganic hybrid metal halides, Scintillation, Self-trapped exciton
in
Advanced Optical Materials
volume
14
issue
25
article number
e71347
publisher
John Wiley & Sons Inc.
external identifiers
  • scopus:105040971207
ISSN
2195-1071
DOI
10.1002/adom.71347
language
English
LU publication?
yes
id
bbe7ef7e-d10f-4b65-b8e8-a824aefbb982
date added to LUP
2026-09-18 14:36:48
date last changed
2026-09-18 14:37:48
@article{bbe7ef7e-d10f-4b65-b8e8-a824aefbb982,
  abstract     = {{<p>0D Sb<sup>3+</sup>-based organic-inorganic hybrid metal halide (OIMH) scintillators have gained significant attention due to their efficient self-trapped exciton (STE) emission. However, the interplay between local structural distortion, defect-states, and STE emission remains insufficiently understood. Herein, two structurally distinct 0D Sb<sup>3</sup><sup>+</sup>-based OIMHs, [HP(o-tol)<sub>3</sub>]<sub>2</sub>SbBr<sub>5</sub> and [HP(m-tol)<sub>3</sub>]<sub>4</sub>SbBr<sub>7</sub>, are investigated to elucidate structure-property relationships governing exciton dynamics. Specifically, [HP(o-tol)<sub>3</sub>]<sub>2</sub>SbBr<sub>5</sub> features a highly distorted [SbBr<sub>5</sub>]<sup>2−</sup> square pyramid with an active lone pair, whereas [HP(m-tol)<sub>3</sub>]<sub>4</sub>SbBr<sub>7</sub> contains a symmetric [SbBr<sub>6</sub>]<sup>3−</sup> octahedron with an inactive lone pair. Despite stronger distortion, the former exhibits a low photoluminescence quantum yield (PLQY) of 6%, while the latter achieves a high PLQY of 81%. Through combined photophysical analysis and first-principles calculations, we reveal that the stronger distortion induces defect-states, which compete with STE emission and lead to enhanced non-radiative losses. Consequently, [HP(m-tol)<sub>3</sub>]<sub>4</sub>SbBr<sub>7</sub> demonstrates promising X-ray scintillation performance, with a light yield (LY) of 12200 ± 200 photons MeV<sup>−1</sup>. This performance enabled the fabrication of flexible [HP(m-tol)<sub>3</sub>]<sub>4</sub>SbBr<sub>7</sub>@SEBS scintillator films, achieving a spatial resolution of 8.0 lp mm<sup>−1</sup> and high-quality 2D &amp; 3D X-ray imaging and tomography, offering a promising path for future medical and industrial inspection technologies.</p>}},
  author       = {{Liang, Mingli and Liu, Kun and Li, Le and Zou, Mingxin and Zheng, Kaibo and Wang, Sasa and Liu, Shujuan and Liu, Xiangmei and Zhao, Qiang}},
  issn         = {{2195-1071}},
  keywords     = {{3D X-ray imaging; Sb-based organic-inorganic hybrid metal halides; Scintillation; Self-trapped exciton}},
  language     = {{eng}},
  number       = {{25}},
  publisher    = {{John Wiley & Sons Inc.}},
  series       = {{Advanced Optical Materials}},
  title        = {{Coordination-Dependent Exciton Dynamics and Scintillation in 0D Sb<sup>3+</sup>-Based Organic-Inorganic Hybrid Metal Halides}},
  url          = {{http://dx.doi.org/10.1002/adom.71347}},
  doi          = {{10.1002/adom.71347}},
  volume       = {{14}},
  year         = {{2026}},
}