Local Environment and Migration Paths of the Proton Defect in Yttria-Stabilized Zirconia Studied by Ab Initio Calculations and Muon-Spin Spectroscopy

Local Environment and Migration Paths of the Proton Defect in Yttria-Stabilized Zirconia Studied by Ab Initio Calculations and Muon-Spin Spectroscopy

The local binding and migration behavior of the proton defect in cubic yttria-stabilized zirconia (YSZ) is studied by first-principles calculations and muon-spin spectroscopy (<i>μ</i>SR) measurements. The calculations are based on density-functional theory (DFT) supplemented with a hybr...

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Bibliographic Details
Main Authors: A. G. Marinopoulos, R. C. Vilão, H. V. Alberto, J. M. Gil, R. B. L. Vieira, J. S. Lord
Format: Article
Language:English
Published: MDPI AG 2024-06-01
Series:Hydrogen
Subjects:
zirconia
proton
ab initio calculations
muon spectroscopy
Online Access:https://www.mdpi.com/2673-4141/5/3/21

Internet

https://www.mdpi.com/2673-4141/5/3/21

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