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Determination of Crystal Structures

Determination of Crystal Structures

In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...

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Updated: May 6, 2026

$High Pressure Single Crystal Diffraction at PX^2$

High Pressure Single Crystal Diffraction at PX^2

Published on: January 16, 2017

Dual-Site Coordination Regulated Crystallization for High-Performance MAPbBr₃ X-ray Detection.

Yue Zhang¹, Yuanjie Sun¹, Zhe Liu²

¹College of Nuclear Science and Technology, Harbin Engineering University, Harbin 150001, China.

ACS Applied Materials & Interfaces

|March 17, 2026

Summary

Polymer inhibitors improve perovskite single crystal growth for X-ray detectors. This coordination engineering strategy enhances crystal quality, reducing defects and boosting detector sensitivity and performance.

Keywords:

MAPbBr3 X-ray detector crystal growth dual-site polymers

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Area of Science:

Materials Science
Crystallography
Detector Physics

Background:

Organic-inorganic hybrid perovskites are promising for sensitive X-ray detectors.
Precursor solution instability causes defects, limiting device performance.

Purpose of the Study:

To develop a strategy for high-quality perovskite single crystal growth.
To improve the thermodynamic stability of perovskite precursor solutions.
To enhance the performance of perovskite-based X-ray detectors.

Main Methods:

Polyvinylpyrrolidone (PVP) as a polymeric inhibitor.
Coordination mechanism analysis using IGMH and DFT calculations.
Experimental characterization of single crystals and detector performance.

Main Results:

PVP effectively suppresses disordered nucleation and maintains precursor stability.
PVP forms a dual-site coordination complex with Pb2+.
Perovskite single crystals exhibit low defect density (6.56 × 10^8 cm^-3) and high carrier mobility-lifetime product (1.11 × 10^-3 cm^2·V^-1).
X-ray detectors show high sensitivity (1.73 × 10^4 μC·Gyair^-1·cm^-2) and low detection limit (43.55 nGyair·s^-1).

Conclusions:

Coordination engineering with PVP is a viable strategy for high-quality perovskite crystallization.
This approach enables the development of advanced, high-performance radiation detectors.
The study offers a new pathway for modulating crystallization kinetics in perovskite materials.