Experimental and theoretical investigation of lithium-ion conductivity in Li2LaNbTiO7

2019 ◽  
Vol 48 (46) ◽  
pp. 17281-17290 ◽  
Author(s):  
Selorm Joy Fanah ◽  
Ming Yu ◽  
Farshid Ramezanipour
Keyword(s):  
Density Functional Theory ◽  
Electrochemical Impedance Spectroscopy ◽  
Impedance Spectroscopy ◽  
Density Functional ◽  
Electrochemical Impedance ◽  
Lithium Ion ◽  
Ion Conductivity ◽  
Functional Theory ◽  
Li Ion ◽  
Lithium Ion Conductivity

Li-ion conductivity in Li2LaNbTiO7 and its Li-deficient analogue has been investigated. Neutron diffraction, electrochemical impedance spectroscopy, and density functional theory have been utilized to study these Ruddlesden-Popper oxides.

Metallic FeSe monolayer as an anode material for Li and non-Li ion batteries: a DFT study

2020 ◽  
Vol 22 (16) ◽  
pp. 8902-8912 ◽  
Author(s):  
Xiaodong Lv ◽  
Fengyu Li ◽  
Jian Gong ◽  
Jinxing Gu ◽  
Shiru Lin ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electrochemical Performance ◽  
Lithium Ion Batteries ◽  
Anode Material ◽  
Density Functional ◽  
Lithium Ion ◽  
Li Ion Batteries ◽  
Functional Theory ◽  
Li Ion ◽  
Density Functional Theory Computations

By means of density functional theory computations, we explored the electrochemical performance of an FeSe monolayer as an anode material for lithium and non-lithium ion batteries (LIBs and NLIBs).

scholarly journals Highly efficient evaluation of diffusion networks in Li ionic conductors using a 3D-corrugation descriptor

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Arthur France-Lanord ◽  
Ryoji Asahi ◽  
Benoît Leblanc ◽  
Joohwi Lee ◽  
Erich Wimmer
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Calculation ◽  
Topological Analysis ◽  
Ion Conductivity ◽  
Three Dimensions ◽  
Ionic Conductors ◽  
Functional Theory ◽  
Highly Efficient ◽  
Li Ion

Abstract A highly efficient computational approach for the screening of Li ion conducting materials is presented and its performance is demonstrated for olivine-type oxides and thiophosphates. The approach is based on a topological analysis of the electrostatic (Coulomb) potential obtained from a single density functional theory calculation augmented by a Born-Mayer-type repulsive term between Li ions and the anions of the material. This 3D-corrugation descriptor enables the automatic determination of diffusion pathways in one, two, and three dimensions and reproduces migration barriers obtained from density functional theory calculations using nudged elastic band method within approximately 0.1 eV. Importantly, it correlates with Li ion conductivity. This approach thus offers an efficient tool for evaluating, ranking, and optimizing materials with high Li-ion conductivity.

MX (M = Ge, Sn; X = S, Se) sheets: theoretical prediction of new promising electrode materials for Li ion batteries

2016 ◽  
Vol 4 (28) ◽  
pp. 10906-10913 ◽  
Author(s):  
Yungang Zhou
Keyword(s):  
Density Functional Theory ◽  
High Performance ◽  
Density Functional ◽  
Electrode Materials ◽  
Lithium Ion ◽  
Density Functional Theory Calculations ◽  
Two Dimensional ◽  
Li Ion Batteries ◽  
Functional Theory ◽  
Li Ion

In this work, via density functional theory calculations, we explored the interaction of Li with recently synthesized two-dimensional structures, MX (M = Ge, Sn; X = S, Se) sheets, for application in high-performance lithium ion batteries.

scholarly journals Correction to: Electrochemical Impedance Spectroscopy Characterization of Silicon-Based Electrodes for Li-Ion Batteries

2020 ◽  
Vol 11 (3) ◽  
pp. 364-364
Author(s):  
Maciej Ratynski ◽  
Bartosz Hamankiewicz ◽  
Michał Krajewski ◽  
Maciej Boczar ◽  
Dominika A. Buchberger ◽  
...  
Keyword(s):  
Electrochemical Impedance Spectroscopy ◽  
Impedance Spectroscopy ◽  
Electrochemical Impedance ◽  
Li Ion Batteries ◽  
Li Ion ◽  
Silicon Based

scholarly journals Characterization of the Compressive Load on a Lithium-Ion Battery for Electric Vehicle Application

Machines ◽  
2021 ◽  
Vol 9 (4) ◽  
pp. 71
Author(s):  
Seyed Saeed Madani ◽  
Erik Schaltz ◽  
Søren Knudsen Kær
Keyword(s):  
Electrochemical Impedance Spectroscopy ◽  
Impedance Spectroscopy ◽  
Lithium Ion Batteries ◽  
Lithium Ion Battery ◽  
Electric Vehicles ◽  
Large Scale ◽  
Electrochemical Impedance ◽  
Applied Pressure ◽  
Lithium Ion ◽  
Battery Cells

Lithium-ion batteries are being implemented in different large-scale applications, including aerospace and electric vehicles. For these utilizations, it is essential to improve battery cells with a great life cycle because a battery substitute is costly. For their implementation in real applications, lithium-ion battery cells undergo extension during the course of discharging and charging. To avoid disconnection among battery pack ingredients and deformity during cycling, compacting force is exerted to battery packs in electric vehicles. This research used a mechanical design feature that can address these issues. This investigation exhibits a comprehensive description of the experimental setup that can be used for battery testing under pressure to consider lithium-ion batteries’ safety, which could be employed in electrified transportation. Besides, this investigation strives to demonstrate how exterior force affects a lithium-ion battery cell’s performance and behavior corresponding to static exterior force by monitoring the applied pressure at the dissimilar state of charge. Electrochemical impedance spectroscopy was used as the primary technique for this research. It was concluded that the profiles of the achieved spectrums from the experiments seem entirely dissimilar in comparison with the cases without external pressure. By employing electrochemical impedance spectroscopy, it was noticed that the pure ohmic resistance, which is related to ion transport resistance of the separator, could substantially result in the corresponding resistance increase.

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