Study on crystallographic and electronic structure of micrometre-scale ZnO and ZnO:B rods via X-ray absorption fine-structure spectroscopy

[ X ]

Tarih

2021

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

Int Union Crystallography

Erişim Hakkı

info:eu-repo/semantics/openAccess

Özet

X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine-structure (EXAFS) spectra were recorded to investigate the electronic structure and local crystal structure of ZnO and ZnO:B powders produced via hydrothermal synthesis. ZnO and ZnO:B grow as micrometre-scale rods with hexagonal shape, as confirmed by scanning electron microscopy micrographs. The number of broken ZnO:B rods increases with increasing B concentration, as observed in the images, due to B atoms locating in between the Zn and O atoms which weakens and/or breaks the Zn-O bonds. However, no disorder within the crystallographic structure of ZnO upon B doping is observed from X-ray diffraction results, which were supported by EXAFS results. To determine the atomic locations of boron atoms in the crystal structure and their influence on the zinc atoms, EXAFS data were fitted with calculated spectra using the crystal structure parameters obtained from the crystallographic analysis of the samples. EXAFS data fitting and complementary k-weight analysis revealed the positions of the B atoms - their positions were determined to be in between the Zn and O atoms.

Açıklama

Anahtar Kelimeler

semiconductors, electronic structure, crystallographic structure, X-ray absorption spectroscopy, ZnO

Kaynak

Journal of Synchrotron Radiation

WoS Q Değeri

Q2

Scopus Q Değeri

Q1

Cilt

28

Sayı

Künye