Understanding the ionic conductivity maximum in doped ceria: trapping and blocking-Reference-Cited by-同舟云学术

Understanding the ionic conductivity maximum in doped ceria: trapping and blocking

Published:2018 Issue:21 Volume:20 Page:14291-14321
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Koettgen Julius¹²³⁴^ORCID,Grieshammer Steffen¹²³⁴⁵^ORCID,Hein Philipp¹²³⁴^ORCID,Grope Benjamin O. H.¹²³⁴,Nakayama Masanobu⁶⁷⁸⁹¹⁰^ORCID,Martin Manfred¹²³⁴⁵^ORCID

Affiliation:

1. Institute of Physical Chemistry

2. RWTH Aachen University

3. 52056 Aachen

4. Germany

5. Helmholtz-Institut Münster (IEK-12)

6. Frontier Research Institute for Materials Science (FRIMS)

7. Nagoya Institute of Technology

8. Nagoya

9. Japan

10. Center for Materials Research by Information Integration (CMI2)

Abstract

Ionic conductivity is systematically predicted by only a few migration energies from first-principles DFT calculations combined with Kinetic Monte Carlo simulations.

Funder

RWTH Aachen University

Japan Science and Technology Agency

Bundesministerium für Wirtschaft und Technologie

Forschungszentrum Jülich

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP08535D