Redox, Magnetic, and Structural Properties of α-NaMnO2 Cathode Material Analyzed by Fitting-Free DFT+U Calculations, Parameterized by the Linear Response Approach-Reference-Cited by-同舟云学术

Redox, Magnetic, and Structural Properties of α-NaMnO2 Cathode Material Analyzed by Fitting-Free DFT+U Calculations, Parameterized by the Linear Response Approach

Published:2021-01-06 Issue:2 Volume:125 Page:1531-1543
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Shishkin Maxim¹^ORCID,Sato Hirofumi¹²³^ORCID

Affiliation:

1. Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Nishikyo-ku, Kyoto 615-8520, Japan

2. Department of Molecular Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan

3. Fukui Institute for Fundamental Chemistry, Kyoto University, Nishikyo-ku, Kyoto, Japan

Funder

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.0c09344

Reference53 articles.

1. Nickel-Rich Layered Cathode Materials for Automotive Lithium-Ion Batteries: Achievements and Perspectives

2. A New Emerging Technology: Na‐Ion Batteries

3. Ni- and/or Mn-based layered transition metal oxides as cathode materials for sodium ion batteries: status, challenges and countermeasures

4. Electrochemistry and Solid‐State Chemistry of NaMeO 2 (Me = 3d Transition Metals)

5. Will Sodium Layered Oxides Ever Be Competitive for Sodium Ion Battery Applications?

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Revealing Roles of High‐Electronegativity Fluorine Atoms in Boosting Redox Potential of Layered Sodium Cathodes;Small;2024-08-02

2. Optimization strategies developed on NiO for Heisenberg exchange coupling calculations using projector augmented wave based first-principles DFT+U+J;Physical Review B;2023-12-14

3. Evaluation of redox potentials of cathode materials of alkali-ion batteries using extended DFT+U+U↑↓ method: The role of interactions between the electrons with opposite spins;The Journal of Chemical Physics;2021-03-21

4. Assembling organic–inorganic building blocks for high-capacity electrode design;Materials Horizons;2021

5. Structural change induced by electrochemical sodium extraction from layered O′3-NaMnO2;Journal of Materials Chemistry A;2021