scholarly journals Preferential lattice expansion of polypropylene in a trilayer polypropylene/polyethylene/polypropylene microporous separator in Li-ion batteries

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Wen-Dung Hsu ◽  
Po-Wei Yang ◽  
Hung-Yuan Chen ◽  
Po-Hsien Wu ◽  
Pin-Chin Wu ◽  
...  
Keyword(s):  
Current Density ◽  
Density Functional ◽  
Electrochemical Impedance ◽  
Lithium Ion ◽  
Density Functional Theory Calculations ◽  
Lattice Expansion ◽  
X Ray Diffraction ◽  
Charging Current ◽  
Separator Material ◽  
Li Ion

AbstractThe abnormal lattice expansion of commercial polypropylene (PP)/polyethylene (PE)/polypropylene (PP) separator in lithium-ion battery under different charging current densities was observed by in-situ X-ray diffraction. Significant lattice changes of both PP and PE were found during the low current density charging. The capacity fading and the resistance value of the cell measured at 0.025 C (5th retention, 92%) is unexpectedly larger than that at 1.0 C (5th retention, 97.3%) from the electrochemical impedance spectroscopic data. High-resolution scanning electron microscopy is employed to witness the pore changes of the trilayered membrane. Density functional theory calculations were used to investigate the mechanism responsible for the irregular results. The calculations revealed that the insertion of Li-ion and EC molecule into PP or PE are thermodynamically favourable process which might explain the anomalous significant lattice expansion during the low current density charging. Therefore, designing a new separator material with a more compact crystalline structure or surface modification to reduce the Li insertion during the battery operation is desirable.

scholarly journals Evidence for a Solid-Electrolyte Inductive Effect in Superionic Conductors

2020 ◽  
Author(s):  
Sean Culver ◽  
Alex Squires ◽  
Nicolo Minafra ◽  
Callum Armstrong ◽  
Thorben Krauskopf ◽  
...  
Keyword(s):  
Solid Electrolyte ◽  
Solid Electrolytes ◽  
Density Functional ◽  
Inductive Effect ◽  
Ionic Conductivities ◽  
Lithium Ion ◽  
Density Functional Theory Calculations ◽  
Ion Diffusion ◽  
Functional Theory ◽  
Li Ion

<p>Identifying and optimizing highly-conducting lithium-ion solid electrolytes is a critical step towards the realization of commercial all–solid-state lithium-ion batteries. Strategies to enhance ionic conductivities in solid electrolytes typically focus on the effects of modifying their crystal structures or of tuning mobile-ion stoichiometries. A less-explored approach is to modulate the chemical-bonding interactions within a material to promote fast lithium-ion diffusion. Recently, the idea of a solid-electrolyte inductive effect was proposed, whereby changes in bonding within the solid-electrolyte host-framework modify the potential-energy landscape for the mobile ions, resulting in an enhanced ionic conductivity. This concept has since been invoked to explain anomalous conductivity trends in a number of solid electrolytes. Direct evidence for a solid-electrolyte inductive effect, however, is lacking—in part because of the challenge of quantifying changes in local bonding interactions within a solid-electrolyte host-framework. <a></a><a>Here, we consider the evidence for a solid-electrolyte inductive effect in the archetypal superionic lithium-ion conductor Li<sub>10</sub>Ge<sub>1−<i>x</i></sub>Sn<i><sub>x</sub></i>P<sub>2</sub>S<sub>12</sub>, using Rietveld refinements against high-resolution temperature-dependent neutron-diffraction data, Raman spectroscopy, and density functional theory calculations.</a> Substituting Ge for Sn weakens the {Ge,Sn}–S bonding interactions and increases the charge-density associated with the S<sup>2-</sup> ions. This charge redistribution modifies the Li<sup>+</sup> substructure causing Li<sup>+</sup> ions to bind more strongly to the host-framework S anions; which in turn modulates the Li-ion potential-energy surface, increasing local barriers for Li-ion diffusion. Each of these effects is consistent with the predictions of the solid-electrolyte inductive effect model. Density functional theory calculations further predict that this inductive effect occurs even in the absence of changes to the host-framework geometry due to Ge → Sn substitution. These results provide direct evidence in support of a measurable solid-electrolyte inductive effect and demonstrate its application as a practical strategy for tuning ionic conductivities in superionic lithium-ion conductors.</p>

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.

scholarly journals Evidence for a Solid-Electrolyte Inductive Effect in Superionic Conductors

2020 ◽  
Author(s):  
Sean Culver ◽  
Alex Squires ◽  
Nicolo Minafra ◽  
Callum Armstrong ◽  
Thorben Krauskopf ◽  
...  
Keyword(s):  
Solid Electrolyte ◽  
Solid Electrolytes ◽  
Density Functional ◽  
Inductive Effect ◽  
Ionic Conductivities ◽  
Lithium Ion ◽  
Density Functional Theory Calculations ◽  
Ion Diffusion ◽  
Functional Theory ◽  
Li Ion

<p>Identifying and optimizing highly-conducting lithium-ion solid electrolytes is a critical step towards the realization of commercial all–solid-state lithium-ion batteries. Strategies to enhance ionic conductivities in solid electrolytes typically focus on the effects of modifying their crystal structures or of tuning mobile-ion stoichiometries. A less-explored approach is to modulate the chemical-bonding interactions within a material to promote fast lithium-ion diffusion. Recently, the idea of a solid-electrolyte inductive effect was proposed, whereby changes in bonding within the solid-electrolyte host-framework modify the potential-energy landscape for the mobile ions, resulting in an enhanced ionic conductivity. This concept has since been invoked to explain anomalous conductivity trends in a number of solid electrolytes. Direct evidence for a solid-electrolyte inductive effect, however, is lacking—in part because of the challenge of quantifying changes in local bonding interactions within a solid-electrolyte host-framework. <a></a><a>Here, we consider the evidence for a solid-electrolyte inductive effect in the archetypal superionic lithium-ion conductor Li<sub>10</sub>Ge<sub>1−<i>x</i></sub>Sn<i><sub>x</sub></i>P<sub>2</sub>S<sub>12</sub>, using Rietveld refinements against high-resolution temperature-dependent neutron-diffraction data, Raman spectroscopy, and density functional theory calculations.</a> Substituting Ge for Sn weakens the {Ge,Sn}–S bonding interactions and increases the charge-density associated with the S<sup>2-</sup> ions. This charge redistribution modifies the Li<sup>+</sup> substructure causing Li<sup>+</sup> ions to bind more strongly to the host-framework S anions; which in turn modulates the Li-ion potential-energy surface, increasing local barriers for Li-ion diffusion. Each of these effects is consistent with the predictions of the solid-electrolyte inductive effect model. Density functional theory calculations further predict that this inductive effect occurs even in the absence of changes to the host-framework geometry due to Ge → Sn substitution. These results provide direct evidence in support of a measurable solid-electrolyte inductive effect and demonstrate its application as a practical strategy for tuning ionic conductivities in superionic lithium-ion conductors.</p>

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.

Synthesis and Electrochemical Properties of Spherical LiFePO4/C Composite via Spray Drying

2015 ◽  
Vol 1120-1121 ◽  
pp. 554-558 ◽  
Author(s):  
Juan Mei Wang ◽  
Bing Ren ◽  
Ying Lin Yan ◽  
Qing Zhang ◽  
Yan Wang
Keyword(s):  
Diffusion Coefficient ◽  
Electrochemical Properties ◽  
Spray Drying ◽  
Electrochemical Impedance ◽  
Retention Rate ◽  
Lithium Ion ◽  
Constant Current ◽  
Ion Diffusion ◽  
Electrochemical Tests ◽  
Li Ion

In this work, spherical LiFePO4/C composite had been synthesized by co-precipitation and spray drying method. The structure, morphology and electrochemical properties of the samples were characterized by X-ray diffraction (XRD), scanning electron micrograph (SEM), transmission electron microscope (TEM), constant current charge-discharge tests and electrochemical impedance spectroscopy (EIS) tests. The spherical LiFePO4/C particles consisted of a number of smaller grains. The results showed that the morphology of LiFePO4/C particles seriously affected the Li-ion diffusion coefficient and electrochemical properties of lithium ion batteries. Electrochemical tests revealed the spherical LiFePO4/C composite had excellent Li-ion diffusion coefficient which was calculated to be 1.065×10-11 cm2/s and discharge capacity of 149 (0.1 C), 139 (0.2 C), 133 (0.5 C), 129 (1 C) and 124 mAhg-1(2 C). After 50 cycles, the capacity retention rate was still 93.5%.

Evaluation of the influence of high-power charging cycles on the capacity degradation of lithium-ion batteries under various temperatures

2021 ◽  
pp. 014233122110585
Author(s):  
Xiaogang Wu ◽  
Yinlong Xia ◽  
Jiuyu Du ◽  
Kun Zhang ◽  
Jinlei Sun
Keyword(s):  
Lithium Ion Batteries ◽  
High Power ◽  
Electrode Materials ◽  
Electrochemical Impedance ◽  
Degradation Mechanism ◽  
Solid Electrolyte Interphase ◽  
Lithium Ion ◽  
Capacity Degradation ◽  
Battery Capacity ◽  
Charging Current

High-power-charging (HPC) behavior and extreme ambient temperature not only pose security risks on the operation of lithium-ion batteries but also lead to capacity degradation. Exploring the degradation mechanism under these two conditions is very important for safe and rational use of lithium-ion batteries. To investigate the influence of various charging-current rates on the battery-capacity degradation in a wide temperature range, a cycle-aging test is carried out. Then, the effects of HPC on the capacity degradation at various temperatures are analyzed and discussed using incremental capacity analysis and electrochemical impedance spectroscopy. The analysis results show that a large number of lithium ions accelerate the deintercalation when the HPC cycle rate exceeds 3 C, making the solid electrolyte interphase at the negative surface unstable and vulnerable to destruction, which results in irreversible consumption of active lithium. In addition, the decomposition of electrolyte is significantly promoted when the HPC temperature is more than 30°C, resulting in accelerated consumption of electrode materials and active lithium, which are the main reasons for the capacity degradation of lithium-ion batteries during HPC under various temperatures.

scholarly journals Electrochemical Behavior of NH4F-Pretreated Li1.25Ni0.20Fe0.13Co0.33Mn0.33O2 Cathodes for Lithium-ion Batteries

2020 ◽  
Vol 10 (3) ◽  
pp. 1021
Author(s):  
Yonglei Zheng ◽  
Yikai Li ◽  
He Wang ◽  
Siheng Chen ◽  
Xiangxin Guo ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Electrochemical Impedance ◽  
Lithium Ion ◽  
X Ray Diffraction ◽  
Capacity Retention ◽  
Hierarchical Microspheres ◽  
Electrochemical Cycling ◽  
Novel Method ◽  
Diffraction Patterns ◽  
Discharge Capacities

We report a novel method to fabricate lithium-ion batteries cathodes with the NH4F pretreatment. In this study, NH4F-pretreated Li1.25Ni0.20Fe0.13Co0.33Mn0.33O2 hollow nano-micro hierarchical microspheres were synthesized for use as cathode materials. The X-ray diffraction patterns of NH4F-pretreated Li1.25Ni0.20Co0.33Fe0.13Mn0.33O2 were analyzed with the RIETAN-FP software program, and the results showed that the samples possess a layered α-NaFeO2 structure. The effects of pretreatment with NH4F on the electrochemical performance of the pristine material were evaluated through charge/discharge cycling, the rate performance, and electrochemical impedance spectroscopy (EIS). Pretreatment with NH4F significantly improved the discharge capacities and coulombic efficiencies of Li1.25Ni0.20Co0.33Fe0.13Mn0.33O2 in the first cycle and during subsequent electrochemical cycling. The sample pretreated with an appropriate amount of NH4F (NFCM 90) showed the highest discharge capacity (209.1 mA h g−1) and capacity retention (85.2% for 50 cycles at 0.1 C). The EIS results showed that the resistance of the NFCM 90 sample (76.32 Ω) is lower than that of the pristine one (206.2 Ω).

scholarly journals Effect of Prelithiation Process for Hard Carbon Negative Electrode on the Rate and Cycling Behaviors of Lithium-Ion Batteries

Batteries ◽  
2018 ◽  
Vol 4 (4) ◽  
pp. 71 ◽  
Author(s):  
Yusuke Abe ◽  
Tomoaki Saito ◽  
Seiji Kumagai
Keyword(s):  
Lithium Ion Batteries ◽  
Current Density ◽  
High Current Density ◽  
Negative Electrode ◽  
Lithium Ion ◽  
High Current ◽  
Hard Carbon ◽  
Li Ion ◽  
Charge Discharge ◽  
Ion Insertion

Two prelithiation processes (shallow Li-ion insertion, and thrice-repeated deep Li-ion insertion and extraction) were applied to the hard carbon (HC) negative electrode (NE) used in lithium-ion batteries (LIBs). LIB full-cells were assembled using Li(Ni0.5Co0.2Mn0.3)O2 positive electrodes (PEs) and the prelithiated HC NEs. The assembled full-cells were charged and discharged under a low current density, increasing current densities in a stepwise manner, and then constant under a high current density. The prelithiation process of shallow Li-ion insertion resulted in the high Coulombic efficiency (CE) of the full-cell at the initial charge-discharge cycles as well as in a superior rate capability. The prelithiation process of thrice-repeated Li-ion insertion and extraction attained an even higher CE and a high charge-discharge specific capacity under a low current density. However, both prelithiation processes decreased the capacity retention during charge-discharge cycling under a high current density, ascertaining a trade-off relationship between the increased CE and the cycling performance. Further elimination of the irreversible capacity of the HC NE was responsible for the higher utilization of both the PE and NE, attaining higher initial performances, but allowing the larger capacity to fade throughout charge-discharge cycling.

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