Comparative evaluation of line profile analysis and preferred orientation correction in determining crystallite shape of anatase with X-ray power diffraction profile

Taotao Li, Huiyun Zhang, Yanlian Liu, Yong Xue, Fuqian Yang

Research output: Contribution to journalArticlepeer-review

Abstract

X-ray powder diffraction (XRPD) profiles provide valuable information on the geometrical shape of crystallites. This work delves into the complexity of determining the geometrical shape of crystallites, including plate-like and spherical TiO2 specimens, and discusses crucial parameters of edge length, shape coefficient, and orientation vector. The analysis demonstrates the necessity of using both line-broadening analysis and preferred orientation to elucidate the underlying physics of XRPD analysis. The choice of empirical formula is illustrated in analyzing plate-like crystallites with the characteristic of flat morphology. For spherical crystallites, the March-Dollase formula is recommended.

Original languageEnglish
Article number113812
JournalMaterials Characterization
Volume210
DOIs
StatePublished - Apr 2024

Bibliographical note

Publisher Copyright:
© 2024 Elsevier Inc.

Keywords

  • Crystallite shape
  • Line-broadening analysis
  • Preferred orientation correction
  • XRPD profiles

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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