Probing the Local Atomic Structure of In and Cu in Sphalerite by XAS Spectroscopy Enhanced by Reverse Monte Carlo Algorithm

Probing the Local Atomic Structure of In and Cu in Sphalerite by XAS Spectroscopy Enhanced by Reverse Monte Carlo Algorithm

The distortion of atomic structure around In and Cu dopants in sphalerite ZnS was explored by extended X-ray absorption fine structure (EXAFS) spectroscopy enhanced by reverse Monte Carlo (RMC) simulation (RMC-EXAFS method). These data were complemented with quantum chemical Density Functional Theor...

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Bibliographic Details
Main Authors: Alexander L. Trigub, Nikolay D. Trofimov, Boris R. Tagirov, Max S. Nickolsky, Kristina O. Kvashnina
Format: Article
Language:English
Published: MDPI AG 2020-09-01
Series:Minerals
Subjects:
sphalerite
synthetic minerals
X-ray absorption spectroscopy
EXAFS
XANES
indium
Online Access:https://www.mdpi.com/2075-163X/10/10/841

Internet

https://www.mdpi.com/2075-163X/10/10/841

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