Is ReO3 a mixed ionic-electronic conductor? A DFT study of defect formation and migration in a BVIO3 perovskite-type oxide.

Is ReO₃ a mixed ionic-electronic conductor? A DFT study of defect formation and migration in a B^VIO₃ perovskite-type oxide.

Parras, J P; Genreith-Schriever, A R; Zhang, H; Elm, M T; Norby, T; De Souza, R A.

Afiliação

Parras JP; Institute of Physical Chemistry, RWTH Aachen University, 52056 Aachen, Germany. desouza@pc.rwth-aachen.de.
Genreith-Schriever AR; Institute of Physical Chemistry, RWTH Aachen University, 52056 Aachen, Germany. desouza@pc.rwth-aachen.de.
Zhang H; Institute of Physical Chemistry, RWTH Aachen University, 52056 Aachen, Germany. desouza@pc.rwth-aachen.de.
Elm MT; Center for Materials Research (LaMa), 35392 Giessen, Germany and Institute of Physical Chemistry, Justus Liebig University, 35392 Giessen, Germany and Institute of Experimental Physics I, Justus Liebig University, 35392 Giessen, Germany.
Norby T; Department of Chemistry, University of Oslo, SMN/FERMiO, NO-0349 Oslo, Norway.
De Souza RA; Institute of Physical Chemistry, RWTH Aachen University, 52056 Aachen, Germany. desouza@pc.rwth-aachen.de.

Phys Chem Chem Phys ; 20(12): 8008-8015, 2018 Mar 28.

Article em En | MEDLINE | ID: mdl-29512666

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2018 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2018 Tipo de documento: Article