Hydration entropy of BaZrO3 from first principles phonon calculations-Reference-Cited by-同舟云学术

Hydration entropy of BaZrO3 from first principles phonon calculations

Published:2015 Issue:14 Volume:3 Page:7639-7648
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Bjørheim Tor S.¹²³⁴⁵,Kotomin Eugene A.⁶⁷⁸⁹¹⁰,Maier Joachim⁶⁷⁸

Affiliation:

1. Centre for Materials Science and Nanotechnology

2. Department of Chemistry

3. University of Oslo

4. 0349 Oslo

5. Norway

6. Max Planck Institute for Solid State Research

7. D-70569 Stuttgart

8. Germany

9. Institute for Solid State Physics

10. University of Latvia

Abstract

The impact of phonons on the hydration and defect thermodynamics of undoped and acceptor (Sc, In, Y and Gd) doped BaZrO₃ is addressed by means of first principles supercell calculations.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/TA/C4TA06880G

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4. Determination of the enthalpy of hydration of oxygen vacancies in Y-doped BaZrO3 and BaCeO3 by TG-DSC

5. Electrical conductivity and TG-DSC study of hydration of Sc-doped CaSnO3 and CaZrO3

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