Refined DFT＋ U method for computation of layered oxide cathode materials

Electrochimica Acta, vol. 443, pp. 141912

Authors 2

1. Yin‐Ying Ting Aachen Chair of Theory and Computation of Energy Materials Faculty of Georesources and Materials Engineering

   RWTH Aachen University · Forschungszentrum Jülich · Jülich Aachen Research Alliance

   Affiliation as printed

   Chair of Theory and Computation of Energy Materials, Faculty of Georesources and Materials Engineering, RWTH Aachen University, 52062 Aachen, Germany

   Institute of Energy and Climate Research (IEK-13), Forschungszentrum Jülich GmbH, Wilhelm-Johnen-Straße, 52425 Jülich, Germany

   Jülich Aachen Research Alliance, JARA Energy & Center for Simulation and Data Science (CSD), 52425 Jülich, Germany

2. Piotr M. Kowalski corresponding

   Forschungszentrum Jülich · Jülich Aachen Research Alliance

   Affiliation as printed

   Institute of Energy and Climate Research (IEK-13), Forschungszentrum Jülich GmbH, Wilhelm-Johnen-Straße, 52425 Jülich, Germany

   Jülich Aachen Research Alliance, JARA Energy & Center for Simulation and Data Science (CSD), 52425 Jülich, Germany