Batteries

18 pages, 4779 KiB

Open AccessArticle

Optimization of LIB Electrolyte and Exploration of Novel Compounds via the Molecular Dynamics Method

by Ken-ichi Saitoh, Yoshihiro Takai, Tomohiro Sato, Masanori Takuma and Yoshimasa Takahashi

Batteries 2022, 8(3), 27; https://doi.org/10.3390/batteries8030027 - 21 Mar 2022

Cited by 4 | Viewed by 4509

Due to great interest in the development of electric vehicles and other applications, improving the performances of lithium-ion batteries (LIBs) is crucial. Specifically, components of electrolytes for LIBs should be adequately chosen from hundreds of thousands of candidate compounds. In this study, we [...] Read more.

Due to great interest in the development of electric vehicles and other applications, improving the performances of lithium-ion batteries (LIBs) is crucial. Specifically, components of electrolytes for LIBs should be adequately chosen from hundreds of thousands of candidate compounds. In this study, we aimed to evaluate some physical properties expected for combinations of molecules for electrolytes by microscopic simulations. That is, the viscosity, ionic conductivity, degree of dissociation, diffusion coefficient, and conformation of each molecule were analyzed via molecular dynamics (MD) simulations. We aimed to understand how molecular-sized structures and properties collaboratively affect the behavior of electrolytes. The practical models of molecules we used were ethylene carbonate (EC), fluoroethylene carbonate (FEC), propylene carbonate (PC), butylene carbonate (BC), γ-butyrolactone (GBL), γ-valerolactone (GVL), dimethyl carbonate (DMC), ethyl-methyl carbonate (EMC), diethyl carbonate (DEC), and lithium hexafluorophosphate (LiPF₆). Many molecular systems of electrolytes were simulated, in which one molar LiPF₆ was mixed into a single or combined solvent. It was found that small solvent molecules diffused with relative ease, and they contributed to the higher ionic conductivity of electrolytes. It was clarified that the diffusion coefficient of lithium (Li) ions is greatly affected by the surrounding solvent molecules. We can conclude that high-permittivity solvents can be selectively coordinated around Li ions, and Li salts are sufficiently dissociated, even when there is only a small content of high-permittivity solvent. Thus, we can confirm solely by MD simulation that one of the better candidates for solvent molecules, formamide (F), will exhibit higher performance than the current solvents. Full article

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14 pages, 4851 KiB

Open AccessArticle

A Method for Detecting the Existence of an Over-Discharged Cell in a Lithium-Ion Battery Pack via Measuring Total Harmonic Distortion

by Jonghyeon Kim and Julia Kowal

Batteries 2022, 8(3), 26; https://doi.org/10.3390/batteries8030026 - 21 Mar 2022

Cited by 3 | Viewed by 3641

Abstract

This paper deals with a method to detect the existence of an over-discharged cell in a lithium-ion battery (LIB) pack by measuring the total harmonic distortion (THD) rate in the voltage response. Over-discharge of the LIB cell reduces the available capacity by irreversible [...] Read more.

This paper deals with a method to detect the existence of an over-discharged cell in a lithium-ion battery (LIB) pack by measuring the total harmonic distortion (THD) rate in the voltage response. Over-discharge of the LIB cell reduces the available capacity by irreversible chemical reactions, resulting in serious safety risks such as explosions. Even if only one over-discharged cell exists in the battery pack, it accelerates the decomposition of other cells. In general, the measurement of each cell voltage in a battery pack is required to detect one over-discharged cell. This is because if only the voltage of the battery pack is measured, it cannot be distinguished whether the voltage of each cell is uniformly low or one specific weak cell is over-discharged. The proposed method measures the frequency response through the voltage at only two terminals of the battery pack to detect the presence of one over-discharged cell. When the battery cell is discharged beyond a certain level, the system nonlinearity of the battery pack increases, and it can be detected from the increased THD rate of the battery pack. The proposed method is verified by simulation and measurement. Full article

(This article belongs to the Topic Optimisation, Optimal Control and Nonlinear Dynamics in Electrical Power, Energy Storage and Renewable Energy Systems)

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11 pages, 3210 KiB

Open AccessArticle

The Electrochemical Characterization of Nanostructured Bi₂Se₃ Thin Films in an Aqueous Na Electrolyte

by Raimonds Meija, Vitalijs Lazarenko, Anna Skrastina, Yelyzaveta Rublova, Jana Andzane, Vanda Voikiva, Arturs Viksna and Donats Erts

Batteries 2022, 8(3), 25; https://doi.org/10.3390/batteries8030025 - 18 Mar 2022

Cited by 8 | Viewed by 2768

Abstract

Due to their layered structure and high theoretical capacity, bismuth chalcogenides have been proposed as anodes in organic electrolyte Li- and Na-ion batteries. On the other hand, their electrochemical properties in aqueous systems have not been reported. Here, the electrochemical performance of Bi [...] Read more.

Due to their layered structure and high theoretical capacity, bismuth chalcogenides have been proposed as anodes in organic electrolyte Li- and Na-ion batteries. On the other hand, their electrochemical properties in aqueous systems have not been reported. Here, the electrochemical performance of Bi₂Se₃ thin films in 1 M NaNO₃ aqueous electrolyte is presented. This aqueous Bi₂Se₃ system was found to have up to two orders of magnitude increased diffusion coefficients, compared to other anode materials in Na electrolyte-based systems, as well as limited anode electrode degradation over 5 CVs and significant changes in the anode after 30 CVs. Full article

(This article belongs to the Special Issue Recent Advances in Aqueous Zinc-Ion Batteries)

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22 pages, 4150 KiB

Open AccessArticle

Auger- and X-ray Photoelectron Spectroscopy at Metallic Li Material: Chemical Shifts Related to Sample Preparation, Gas Atmosphere, and Ion and Electron Beam Effects

by Steffen Oswald

Batteries 2022, 8(3), 24; https://doi.org/10.3390/batteries8030024 - 15 Mar 2022

Cited by 5 | Viewed by 5727

Abstract

Li-based batteries are a key element in reaching a sustainable energy economy in the near future. The understanding of the very complex electrochemical processes is necessary for the optimization of their performance. X-ray photoelectron spectroscopy (XPS) is an accepted method used to improve [...] Read more.

Li-based batteries are a key element in reaching a sustainable energy economy in the near future. The understanding of the very complex electrochemical processes is necessary for the optimization of their performance. X-ray photoelectron spectroscopy (XPS) is an accepted method used to improve understanding around the chemical processes at the electrode surfaces. Nevertheless, its application is limited because the surfaces under investigation are mostly rough and inhomogeneous. Local elemental analysis, such as Auger electron spectroscopy (AES), could assist XPS to gain more insight into the chemical processes at the surfaces. In this paper, some challenges in using electron spectroscopy are discussed, such as binding energy (BE) referencing for the quantitative study of chemical shifts, gas atmospheric influences, or beam damage (including both AE and XP spectroscopy). Carefully prepared and surface-modified metallic lithium material is used as model surface, considering that Li is the key element for most battery applications. Full article

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26 pages, 10295 KiB

Open AccessEditor’s ChoiceArticle

Stationary Battery Thermal Management: Analysis of Active Cooling Designs

by Getu Hailu, Martin Henke and Todd Petersen

Batteries 2022, 8(3), 23; https://doi.org/10.3390/batteries8030023 - 1 Mar 2022

Cited by 9 | Viewed by 6125

Abstract

Stationary battery systems are becoming more prevalent around the world, with both the quantity and capacity of installations growing at the same time. Large battery installations and uninterruptible power supply can generate a significant amount of heat during operation; while this is widely [...] Read more.

Stationary battery systems are becoming more prevalent around the world, with both the quantity and capacity of installations growing at the same time. Large battery installations and uninterruptible power supply can generate a significant amount of heat during operation; while this is widely understood, current thermal management methods have not kept up with the increase of stationary battery installations. Active cooling has long been the default approach of thermal management for stationary batteries; however, there is no academic research or comparative studies available for this technology. The present work presents assessment of different active cooling methods through an experimentally validated computational fluid dynamics simulation. Following model validation, several cooling system configurations were analyzed, including effects from implementing either a perforated vent plate or vortex generators. The vent plate was observed to greatly increase cooling performance while simultaneously promoting temperature uniformity between batteries. Vortex generators were shown to marginally increase cooling performance, yet, future research is recommended to study the effects and improvement of the design. The average battery temperature for the vented model is reduced by approximately 5.2 °C, while the average temperature differential among the batteries was only 2.7 °C, less than the recommend value (3 °C) by ASHRAE/IEEE Standards. Full article

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15 pages, 3807 KiB

Open AccessArticle

Cycling of Double-Layered Graphite Anodes in Pouch-Cells

by Daniel Müller, Alexander Fill and Kai Peter Birke

Batteries 2022, 8(3), 22; https://doi.org/10.3390/batteries8030022 - 1 Mar 2022

Cited by 5 | Viewed by 3349

Abstract

Incremental improvement to the current state-of-the-art lithium-ion technology, for example regarding the physical or electrochemical design, can bridge the gap until the next generation of cells are ready to take Li-ions place. Previously designed two-layered porosity-graded graphite anodes, together with Li

_{x}

Ni [...] Read more.

Incremental improvement to the current state-of-the-art lithium-ion technology, for example regarding the physical or electrochemical design, can bridge the gap until the next generation of cells are ready to take Li-ions place. Previously designed two-layered porosity-graded graphite anodes, together with Li

_{x}

Ni

_{0.6}

Mn

_{0.2}

Co

_{0.2}

O

_{2}

cathodes, were analysed in small pouch-cells with a capacity of around 1 Ah. For comparison, custom-made reference cells with the average properties of two-layered anodes were tested. Ten cells of each type were examined in total. Each cell pair, consisting of one double-layer and one single-layer (reference) cell, underwent the same test procedure. Besides regular charge and discharge cycles, electrochemical impedance spectroscopy, incremental capacity analysis, differential voltage analysis and current-pulse measurement are used to identify the differences in ageing behaviour between the two cell types. The results show similar behaviour and properties at beginning-of-life, but an astonishing improvement in capacity retention for the double-layer cells regardless of the cycling conditions. Additionally, the lifetime of the single-layer cells was strongly influenced by the cycling conditions, and the double-layer cells showed less difference in ageing behaviour. Full article

(This article belongs to the Special Issue From Liquid to Solid, the Alternation of Generations toward Solid-State Batteries)

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14 pages, 3769 KiB

Open AccessArticle

Discrimination of Poor Electrode Junctions within Lithium-Ion Batteries by Ultrasonic Measurement and Deep Learning

by Young-In Hwang, Jinhyun Park, Nauman Munir, Hak-Joon Kim, Sung-Jin Song and Ki-Bok Kim

Batteries 2022, 8(3), 21; https://doi.org/10.3390/batteries8030021 - 26 Feb 2022

Cited by 3 | Viewed by 4349

Abstract

Lithium-ion batteries, which have high energy density, are the most suitable batteries for use in high-tech electromechanical applications requiring high performance. Because one of the important components that determines the efficiency of lithium-ion batteries is the electrode, the manufacturing process for this junction [...] Read more.

Lithium-ion batteries, which have high energy density, are the most suitable batteries for use in high-tech electromechanical applications requiring high performance. Because one of the important components that determines the efficiency of lithium-ion batteries is the electrode, the manufacturing process for this junction plays an important role in the entire production process. In particular, the process related to the resistance spot welding of the electrode is very important, directly affecting the safety of users, and greatly affecting the performance of the batteries. However, because the electrode tab is spot-welded onto the inner surface of the case, it is impossible to verify with visual testing (using the naked eye) whether the junction is well bonded. Therefore, it is very important to perform quality evaluation of the resistance welding of electrodes after completing the manufacturing process, using non-destructive testing methods. In this paper, a non-destructive ultrasonic testing technique was applied to examine the quality of lithium-ion batteries in which the negative electrode tabs were welded to the inner surface of the cell cans. The status of resistance spot welding between the electrode and the can was verified using deep-learning techniques with the experimentally acquired ultrasonic signal database. Full article

(This article belongs to the Special Issue Lithium-Ion Batteries: Latest Advances and Prospects II)

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12 pages, 3567 KiB

Open AccessArticle

Intrinsic Defects, Diffusion and Dopants in AVSi₂O₆ (A = Li and Na) Electrode Materials

by Navaratnarajah Kuganathan

Batteries 2022, 8(3), 20; https://doi.org/10.3390/batteries8030020 - 22 Feb 2022

Cited by 2 | Viewed by 2483

Abstract

The alkali metal pyroxenes of the AVSi₂O₆ (A = Li and Na) family have attracted considerable interest as cathode materials for the application in Li and Na batteries. Computer modelling was carried out to determine the dominant intrinsic defects, Li [...] Read more.

The alkali metal pyroxenes of the AVSi₂O₆ (A = Li and Na) family have attracted considerable interest as cathode materials for the application in Li and Na batteries. Computer modelling was carried out to determine the dominant intrinsic defects, Li and Na ion diffusion pathways and promising dopants for experimental verification. The results show that the lowest energy intrinsic defect is the V–Si anti-site in both LiVSi₂O₆ and NaVSi₂O₆. Li or Na ion migration is slow, with activation energies of 3.31 eV and 3.95 eV, respectively, indicating the necessity of tailoring these materials before application. Here, we suggest that Al on the Si site can increase the amount of Li and Na in LiVSi₂O₆ and NaVSi₂O₆, respectively. This strategy can also be applied to create oxygen vacancies in both materials. The most favourable isovalent dopants on the V and Si sites are Ga and Ge, respectively. Full article

(This article belongs to the Special Issue Batteries: Feature Papers 2021)

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Batteries, Volume 8, Issue 3 (March 2022) – 8 articles

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