Overview on Theoretical Simulations of Lithium‐Ion Batteries and Their Application to Battery Separators

Advanced Energy Materials, Journal Year: 2023, Volume and Issue: 13(13)

Published: Feb. 15, 2023

Abstract For the proper design and evaluation of next‐generation lithium‐ion batteries, different physical‐chemical scales have to be considered. Taking into account electrochemical principles methods that govern processes occurring in battery, present review describes main theoretical thermal models allow simulation performance including materials components (electrodes separators) battery geometries. As separator plays an essential role safety recent work for this component are shown, with particular emphasis on morphology, dendrite growth, ionic transport, mechanical properties. Further simulations modeling still required improving performance, taking consideration varying geometric parameters such as pore size, porosity, tortuosity well optimization lithium diffusion process conductivity value. Theoretical separators will play new generation allowing improvement their while reducing experimental probes time.

Language: Английский

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Understanding the Cathode–Electrolyte Interphase in Lithium‐Ion Batteries

Energy Technology, Journal Year: 2022, Volume and Issue: 10(9)

Published: June 28, 2022

The electrode–electrolyte interface is one of the major components enabling Li‐ion batteries (LIBs) to function reversibly. Often, solid–electrolyte interphase (SEI) at anode regarded as key that determines cycle life, capacity fade, and overall safety batteries. There are a plethora SEI literatures exist; however, cathode–electrolyte (CEI) remains relatively unexplored. Unlike in case SEI, detailed understanding CEI formation its association with battery performance not present. This review gives insight into recent progress LIBs. Though there relative dearth literature, generally considered heterogeneous multicomponent film formed due decomposition electrolyte cathode surface. Besides thermodynamic properties relevant kinetic reactions, main challenges lies developing stabilizing layer complex structural composition. Extensive research efforts engineer stable reviewed, including use additives, artificial engineering, heteroatom doping cathode. Furthermore, promising characterization techniques future outlook forming robust for both existing LIB post‐LIB systems highlighted.

Language: Английский

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MXene‐Based Anode‐Free Magnesium Metal Battery

Advanced Functional Materials, Journal Year: 2023, Volume and Issue: 33(33)

Published: June 1, 2023

Abstract Rechargeable magnesium batteries (RMBs) are promising next‐generation low‐cost and high‐energy devices. Among all RMBs, anode‐free metal that use in situ magnesium‐plated current collectors as negative electrodes can afford optimal energy densities. However, have remained elusive so far, their practical application is plagued by low Mg plating/stripping efficiency due to nonuniform deposition on conventional anode collectors. Herein, for the first time, an Mg‐metal battery developed employing a 3D MXene (Ti 3 C 2 T x ) film with horizontal electrodeposition. The magnesiophilic oxygen reactive fluorine terminations enable enriched local magnesium‐ion concentration durable fluoride‐rich solid electrolyte interphase Ti surface. Meanwhile, exhibits high lattice geometrical fit (≈96%) guide electrodeposition of Mg. Consequently, achieves reversible Coulombic efficiencies (>99.4%) at high‐current‐density (5.0 mA cm −2 high‐Mg‐utilization (50%) conditions. When this coupled pre‐magnesized Mo 6 S 8 cathode, full‐cell prototype volumetric density five times higher than its standard counterpart. This work provides insights into rational design batteries.

Language: Английский

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Hierarchical FeS2 cathode with suppressed shuttle effect for high performance magnesium-ion batteries

Nano Energy, Journal Year: 2023, Volume and Issue: 119, P. 109082 - 109082

Published: Nov. 10, 2023

Language: Английский

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Eliminating water hazards and regulating electrode-electrolyte interfaces by multifunctional sacrificial electrolyte additives for long-life lithium metal batteries

Energy storage materials, Journal Year: 2024, Volume and Issue: 70, P. 103512 - 103512

Published: May 24, 2024

Language: Английский

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Data-Driven Evolutionary Design of Multienzyme-like Nanozymes

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(11), P. 7565 - 7574

Published: March 6, 2024

Multienzyme-like nanozymes are nanomaterials with multiple enzyme-like activities and the focus of nanozyme research owing to their ability facilitate cascaded reactions, leverage synergistic effects, exhibit environmentally responsive selectivity. However, multienzyme-like varying under different conditions, making them difficult precisely regulate according design requirements. Moreover, individual activity in a may accelerate, compete, or antagonize each other, rendering overall complex interplay these factors rather than simple sum single activity. A theoretically guided strategy is highly desired accelerate nanozymes. Herein, information was collected from 4159 publications build database covering element type, ratio, chemical valence, shape, pH, etc. Based on clustering correlation coefficients information, material features distinct classifications were reorganized generate compositional for advanced methods developed, including quantum mechanics/molecular mechanics method analyzing surface adsorption binding energies substrates, transition states, products reaction pathways, along machine learning algorithms identify optimal pathway, aid evolutionary This approach culminated creating CuMnCo7O12, active nanozyme. process named genetic-like because it resembles biological genetic evolution nature offers feasible protocol theoretical foundation constructing

Language: Английский

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Superionic lithium transport via multiple coordination environments defined by two-anion packing

Science, Journal Year: 2024, Volume and Issue: 383(6684), P. 739 - 745

Published: Feb. 15, 2024

Fast cation transport in solids underpins energy storage. Materials design has focused on structures that can define pathways with minimal coordination change, restricting attention to a small part of chemical space. Motivated by the greater structural diversity binary intermetallics than metallic elements, we used two anions build pathway for three-dimensional superionic lithium ion conductivity exploits multiple environments. Li

Language: Английский

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Inert salt-assisted solvent-free synthesis of high-entropy oxide towards high-performance lithium-ion batteries

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 484, P. 149791 - 149791

Published: Feb. 17, 2024

Language: Английский

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Insights into Nano- and Micro-Structured Scaffolds for Advanced Electrochemical Energy Storage

Nano-Micro Letters, Journal Year: 2024, Volume and Issue: 16(1)

Published: Feb. 23, 2024

Abstract Adopting a nano- and micro-structuring approach to fully unleashing the genuine potential of electrode active material benefits in-depth understandings research progress toward higher energy density electrochemical storage devices at all technology readiness levels. Due various challenging issues, especially limited stability, micro-structured (NMS) electrodes undergo fast performance degradation. The emerging NMS scaffold design is pivotal aspect many as it endows them with both robustness enhancement, even though only occupies complementary facilitating components for main mechanism. However, extensive efforts are urgently needed optimizing stereoscopic geometrical scaffolds minimize volume ratio maximize their functionality fulfill ever-increasing dependency desire power source supplies. This review will aim highlighting these strategies, summarizing corresponding strengths challenges, thereby outlining solutions resolve principles, key perspectives future in this field. Therefore, be one earliest reviews from viewpoint.

Language: Английский

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Insights on advanced g‐C₃N₄ in energy storage: Applications, challenges, and future

Carbon Energy, Journal Year: 2024, Volume and Issue: 6(4)

Published: Feb. 5, 2024

Abstract Graphitic carbon nitride (g‐C 3 N 4 ) is a highly recognized two‐dimensional semiconductor material known for its exceptional chemical and physical stability, environmental friendliness, pollution‐free advantages. These remarkable properties have sparked extensive research in the field of energy storage. This review paper presents latest advances utilization g‐C various storage technologies, including lithium‐ion batteries, lithium‐sulfur sodium‐ion potassium‐ion supercapacitors. One key strengths lies simple preparation process along with ease optimizing structure. It possesses abundant amino Lewis basic groups, as well high density nitrogen, enabling efficient charge transfer electrolyte solution penetration. Moreover, graphite‐like layered structure presence large π bonds contribute to versatility preparing multifunctional materials different dimensions, element group doping, conjugated systems. characteristics open up possibilities expanding application devices. article comprehensively reviews progress on highlights potential future applications this field. By exploring advantages unique features , provides valuable insights into harnessing full applications.

Language: Английский

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