Pressure-Induced Phase Transition and Compression Properties of HfONanocrystals

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Author(s)

  • Wei Zhang
  • Jiawei Zhang
  • Yingying Zeng
  • Lei Liu
  • Shixue Guan
  • Zhengang Zhang
  • Huazhong Guo
  • Fang Peng
  • Hao Liang

Related Research Unit(s)

Detail(s)

Original languageEnglish
Pages (from-to)3498–3507
Journal / PublicationInorganic Chemistry
Volume61
Issue number8
Online published17 Feb 2022
Publication statusPublished - 28 Feb 2022

Abstract

Nanoparticles exhibit unique properties due to their surface effects and small size, and their behavior at high pressures has attracted widespread attention in recent years. Herein, a series of in situ high-pressure X-ray diffraction measurements with a synchrotron radiation source and Raman scattering have been performed on HfO2 nanocrystals (NC-HfO2) with different grain sizes using a symmetric diamond anvil cell at ambient temperature. The experimental data reveal that the structural stability, phase transition behavior, and equation of state for HfO2 have an interesting size effect under high pressure. NC-HfO2 quenched to normal pressure is characterized by transmission electron microscopy to determine the changing behavior of grain size during phase transition. We found that the rotation of the nanocrystalline HfO2 grains causes a large strain, resulting in the retention of part of an orthorhombic I (OI) phase in the sample quenched to atmospheric pressure. Furthermore, the physical mechanism of the phase transition of NC-HfO2 under high pressure can be well explained by the first-principles calculations. The calculations demonstrate that NC-HfO2 has a strong surface effect, that is, the surface energy and surface stress can stabilize the structures. These studies may offer new insights into the understanding of the physical behavior of nanocrystal materials under high pressure and provide practical guidance for their realization in industrial applications.

Citation Format(s)

Pressure-Induced Phase Transition and Compression Properties of HfONanocrystals. / Zhang, Wei; Zhang, Jiawei; Zeng, Yingying; Lin, Weitong; Liu, Lei; Guan, Shixue; Zhang, Zhengang; Guo, Huazhong; Peng, Fang; Liang, Hao.

In: Inorganic Chemistry, Vol. 61, No. 8, 28.02.2022, p. 3498–3507.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review