Open AccessStudy on crystallographic and electronic structure of micrometre‐scale ZnO and ZnO:B rods via X‐ray absorption fine‐structure spectroscopy
Author(s) -
Erat Selma,
Ozkendir Osman Murat,
Yildirimcan Saadet,
Gunaydin Selen,
Harfouche Messaoud,
Demir Bunyamin,
Braun Artur
Publication year - 2021
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s1600577520015866
Subject(s) - extended x ray absorption fine structure , xanes , crystallography , x ray absorption fine structure , crystal structure , materials science , absorption (acoustics) , crystal (programming language) , absorption spectroscopy , spectroscopy , x ray absorption spectroscopy , bond length , chemistry , optics , programming language , physics , quantum mechanics , computer science , composite material
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.