First-principle calculations of stable configurations and electronic structures of pristine and discharged spinel Mg1.31V1.67-xNixO4 (x = 0, 0.13) as cathode materials for magnesium secondary batteries-Reference-Cited by-同舟云学术

First-principle calculations of stable configurations and electronic structures of pristine and discharged spinel Mg1.31V1.67-xNixO4 (x = 0, 0.13) as cathode materials for magnesium secondary batteries

Published:2023-03 Issue: Volume:221 Page:112087
ISSN:0927-0256
Container-title:Computational Materials Science
language:en
Short-container-title:Computational Materials Science

Author:

Ishibashi Chiaki,Ishida Naoya,Kitamura Naoto,Idemoto Yasushi

Funder

Japan Society for the Promotion of Science

Japan Science and Technology Agency

JST ALCA

Publisher

Elsevier BV

Subject

Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science

Reference37 articles.

1. Preparation of high-dispersity MCo2O4 (M = Mg, Ni, Zn) spinel by thermal dissociation of coprecipitated oxalates;Peshev;Mat. Res. Bull.,1989

2. First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5;Gautam;Chem. Commun.,2015

3. Synthesis, crystal structure and electrode properties of spinel-type MgCo2−xMnxO4;Idemoto;Electrochemistry,2019

4. Y. Idemoto, M. Ichiyama, N. Ishida, N. Kitamura, Structural and electronic properties of spinel type Mg1+yCo2-x-yMnxO4 for cathode applications in magnesium rechargeable batteries, J. Power Sources, 482 (2021), pp. 228920 1-9.

5. Intercalation and push-out process with spinel-to-rocksalt transition on mg insertion into spinel oxides in magnesium batteries;Okamoto;Adv. Sci.,2015

Cited by 1 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. Investigation of Stable Structures and Electronic States of Spinel-Structured MgCo_2–zNi_0.5MnAl_zO₄ (Z = 0, 0.3) as Cathode Materials for Magnesium Rechargeable Batteries Using First-Principles Calculations;The Journal of Physical Chemistry C;2023-05-31