Understanding Local Defects in Li-ion Battery Electrodes through Combined DFT/NMR Studies: Application to LiVPO4F
نویسندگان
چکیده
T. Bamine, E. Boivin, F. Boucher, R. J. Messinger , E. Salager, M. Deschamps, C. Masquelier, L. Croguennec, M. Ménétrier and D. Carlier a CNRS, Univ. Bordeaux, Bordeaux INP, ICMCB UPR 9048, F-33600 Pessac, France b RS2E, Réseau Français sur le Stockage Electrochimique de l’Energie, FR CNRS 3459, F-80039 Amiens Cedex 1, France c Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS, 44322 Nantes, France d CNRS, CEMHTI, UPR 3079, Université d’Orléans, Orléans, France Department of Chemical Engineering, The City College of New York, CUNY, New York, NY 10031 USA f Laboratoire de Réactivité et de Chimie des Solides, CNRS-UMR#7314, Université de Picardie Jules Verne, F-80039 Amiens Cedex 1, France
منابع مشابه
Theoretical Assessment of the First Cycle Transition, Structural Stability and Electrochemical Properties of Li2FeSiO4 as a Cathode Material for Li-ion Battery
Lithium iron orthosilicate (Li2FeSiO4) with Pmn21 space group is theoritically investigated as a chathode material of Li-ion batteries using density functional theory (DFT) calculations. PBE-GGA (+USIC), WC-GGA, L(S)DA (+USIC) and mBJ+LDA(GGA) methods under spin-polarization ferromagnetic (FM) and anti-ferromagnetic (AFM) procedure are used to investigate the material properties, includin...
متن کاملAn Effective Nitrogen Doping Technique for Improving the Performance of Lithium Ion Batteries with CNT Based Electrodes
Lithium ion batteries are among the most used rechargeable batteries in the world. Carbon nanostructures including carbon nanotubes (CNTs) are considered as important electrode materials for this kind of batteries. Therefore improving the performance of these carbon based electrodes in Lithium ion batteries is an important issue and attracts much attention in the battery community. In this manu...
متن کاملInvestigation of particle isolation in Li-ion battery electrodes using Li NMR spectroscopy
Li MAS NMR spectroscopy was used to study the failure mechanisms of LiNi0.8Co0.15Al0.05O2 electrodes in Li-ion cells. Three sets of electrodes with different degrees of power fade (0%, 9% and 23%) were studied. The three electrodes were charged to various states of charge (0%, 40%, 60%, 80% and 100%) in pouch cells which were subsequently disassembled for NMR analysis. The lithium NMR shifts of...
متن کامل(7)Li in situ 1D NMR imaging of a lithium ion battery.
The spatial distribution of charge carriers in lithium ion batteries during current flow is of fundamental interest for a detailed understanding of transport properties and the development of strategies for future improvements of the electrolyte-electrode interface behaviour. In this work we explored the potential of (7)Li 1D in situ NMR imaging for the identification of concentration gradients...
متن کاملNanoscale in situ characterization of Li-ion battery electrochemistry via scanning ion conductance microscopy.
Scanning ion conductance microscopy imaging of battery electrodes, using the geometry shown in the figure, is a tool for in situ nanoscale mapping of surface topography and local ion current. Images of silicon and tin electrodes show that the combination of topography and ion current provides insight into the local electrochemical phenomena that govern the operation of lithium ion batteries.
متن کامل