Zn K-edge XANES in nanocrystalline ZnO

6533b7d6fe1ef96bd1265a88

RESEARCH PRODUCT

Zn K-edge XANES in nanocrystalline ZnO

subject

History X-ray spectroscopy Materials science Absorption spectroscopy Inorganic chemistry Analytical chemistry Ab initio chemistry.chemical_element Zinc XANES Nanocrystalline material Computer Science Applications Education K-edge chemistry Crystallite

description

Zn K-edge XANES in ZnO has been calculated within the full-multiple-scattering (FMS) and finite difference method (FDM) formalism using the ab initio FDMNES code. The influence of non-muffin-tin potential, bulk defects, surface termination and polarization effects on XANES has been analysed. The obtained theoretical results are compared with available experimental data for polycrystalline and nanocrystalline zinc oxide systems.

year	journal	country	edition	language
2007-12-01	Journal of Physics: Conference Series

https://doi.org/10.1088/1742-6596/93/1/012045

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