Understanding Local Defects in Li-Ion Battery Electrodes through Combined DFT/NMR Studies: Application to LiVPO4F-Reference-Cited by-同舟云学术

Understanding Local Defects in Li-Ion Battery Electrodes through Combined DFT/NMR Studies: Application to LiVPO4F

Published:2017-02-06 Issue:6 Volume:121 Page:3219-3227
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Bamine T.¹²,Boivin E.¹²³,Boucher F.⁴,Messinger R. J.²⁵⁶^ORCID,Salager E.²⁵^ORCID,Deschamps M.²⁵,Masquelier C.²³^ORCID,Croguennec L.¹²,Ménétrier M.¹²,Carlier D.¹²^ORCID

Affiliation:

1. CNRS, Université Bordeaux, Bordeaux INP, ICMCB UPR 9048, F-33600 Pessac, France

2. RS2E, Réseau Français sur le Stockage Electrochimique de l’Energie, FR CNRS 3459, F-80039 Amiens Cedex 1, France

3. Laboratoire de Réactivité et de Chimie des Solides, CNRS-UMR#7314, Université de Picardie Jules Verne, F-80039 Amiens Cedex 1, France

4. Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS, 44322 Nantes, France

5. CNRS, CEMHTI, UPR 3079, Université d’Orléans, Orléans, France

6. Department of Chemical Engineering, The City College of New York, CUNY, New York, New York 10031, United States

Funder

Agence Nationale de la Recherche

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.6b11747

Reference23 articles.

1. Polyanionic (Phosphates, Silicates, Sulfates) Frameworks as Electrode Materials for Rechargeable Li (or Na) Batteries

2. Understanding the NMR shifts in paramagnetic transition metal oxides using density functional theory calculations

3. Analysis of the 7Li NMR signals in the Monoclinic Li3Fe2(PO4)3 and Li3V2(PO4)3 Phases

4. Multinuclear NMR and DFT Calculations on the LiFePO4·OH and FePO4·H2O Homeotypic Phases

5. Understanding 6Li MAS NMR spectra of Li2MSiO4 materials (M=Mn, Fe, Zn)

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