Pyrochlore Compounds From Atomistic Simulations.

atomistic simulations ceramics energy storage materials pyrochlores radiation damage solid solutions solid state electrolyte

Journal

Frontiers in chemistry
ISSN: 2296-2646
Titre abrégé: Front Chem
Pays: Switzerland
ID NLM: 101627988

Informations de publication

Date de publication:
2021
Historique:
received: 30 06 2021
accepted: 13 10 2021
entrez: 22 11 2021
pubmed: 23 11 2021
medline: 23 11 2021
Statut: epublish

Résumé

Pyrochlore compounds (

Identifiants

pubmed: 34805088
doi: 10.3389/fchem.2021.733321
pii: 733321
pmc: PMC8595831
doi:

Types de publication

Journal Article

Langues

eng

Pagination

733321

Informations de copyright

Copyright © 2021 Connor, Cheong, Bornhake, Shad, Tesch, Sun, He, Bukayemsky, Vinograd, Finkeldei and Kowalski.

Déclaration de conflit d'intérêts

The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.

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Auteurs

Timothy Connor (T)

Department of Chemistry, Chemical and Biomolecular Engineering, and Materials Science and Engineering, University of California, Irvine, Irvine, CA, United States.

Oskar Cheong (O)

Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research - IEK-13, Theory and Computation of Energy Materials, Jülich, Germany.
Jülich Aachen Research Alliance, JARA Energy & Center for Simulation and Data Science (CSD), Jülich, Germany.
Chair of Theory and Computation of Energy Materials, Faculty of Georesources and Materials Engineering, RWTH Aachen University, Aachen, Germany.

Thomas Bornhake (T)

Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research - IEK-13, Theory and Computation of Energy Materials, Jülich, Germany.
Jülich Aachen Research Alliance, JARA Energy & Center for Simulation and Data Science (CSD), Jülich, Germany.
Chair of Theory and Computation of Energy Materials, Faculty of Georesources and Materials Engineering, RWTH Aachen University, Aachen, Germany.

Alison C Shad (AC)

Walter Scott Jr. College of Engineering, Colorado State University, Fort Collins, CO, United States.

Rebekka Tesch (R)

Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research - IEK-13, Theory and Computation of Energy Materials, Jülich, Germany.
Jülich Aachen Research Alliance, JARA Energy & Center for Simulation and Data Science (CSD), Jülich, Germany.
Chair of Theory and Computation of Energy Materials, Faculty of Georesources and Materials Engineering, RWTH Aachen University, Aachen, Germany.

Mengli Sun (M)

Jülich Aachen Research Alliance, JARA Energy & Center for Simulation and Data Science (CSD), Jülich, Germany.
School of Nuclear Science and Technology, Lanzhou University, Lanzhou, China.

Zhengda He (Z)

Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research - IEK-13, Theory and Computation of Energy Materials, Jülich, Germany.
Jülich Aachen Research Alliance, JARA Energy & Center for Simulation and Data Science (CSD), Jülich, Germany.

Andrey Bukayemsky (A)

Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research - IEK-6, Nuclear Waste Management and Reactor Safety, Jülich, Germany.

Victor L Vinograd (VL)

Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research - IEK-6, Nuclear Waste Management and Reactor Safety, Jülich, Germany.

Sarah C Finkeldei (SC)

Department of Chemistry, Chemical and Biomolecular Engineering, and Materials Science and Engineering, University of California, Irvine, Irvine, CA, United States.
Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research - IEK-13, Theory and Computation of Energy Materials, Jülich, Germany.

Piotr M Kowalski (PM)

Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research - IEK-13, Theory and Computation of Energy Materials, Jülich, Germany.
Jülich Aachen Research Alliance, JARA Energy & Center for Simulation and Data Science (CSD), Jülich, Germany.

Classifications MeSH