Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides-Reference-Cited by-同舟云学术

Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides

Published:2015-09-08 Issue:11 Volume:92 Page:
ISSN:1098-0121
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Seo Dong-Hwa,Urban Alexander,Ceder Gerbrand

Funder

U.S. Department of Energy

National Research Foundation of Korea

Publisher

American Physical Society (APS)

Subject

Condensed Matter Physics,Electronic, Optical and Magnetic Materials

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.92.115118/fulltext

Reference88 articles.

1. Identification of cathode materials for lithium batteries guided by first-principles calculations

2. Ab initiostudy of lithium intercalation in metal oxides and metal dichalcogenides

3. Ab initio calculation of the intercalation voltage of lithium-transition-metal oxide electrodes for rechargeable batteries

4. Reversible anionic redox chemistry in high-capacity layered-oxide electrodes

5. Oxygen and transition metal involvement in the charge compensation mechanism of LiNi1/3Mn1/3Co1/3O2 cathodes

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