The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries-Reference-Cited by-同舟云学术

The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries

Published:2016 Issue:3 Volume:9 Page:984-991
ISSN:1754-5692
Container-title:Energy & Environmental Science
language:en
Short-container-title:Energy Environ. Sci.

Author:

Saubanère M.¹²³⁴⁵^ORCID,McCalla E.¹²³⁴⁵,Tarascon J.-M.¹²³⁴⁵,Doublet M.-L.⁵⁶⁴⁷⁸

Affiliation:

1. Collège de France

2. Laboratoire de Chimie du Solide et Energie

3. 75005 Paris

4. France

5. Réseau Français sur le Stockage Electrochimique de l'Energie – RS2E FR3459

6. Amiens

7. Institut Charles Gerhardt

8. CNRS – Université Montpellier

Abstract

This paper aims to identify robust descriptors to rationalize the anionic redox mechanism in layered Li-rich TM-oxides using conceptual tools, such as atomic charges, orbital interactions and crystal orbital overlap populations (COOP), based on first-principles DFT calculations.

Funder

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Nuclear Energy and Engineering,Renewable Energy, Sustainability and the Environment,Environmental Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/EE/C5EE03048J

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