Current Opinion in Electrochemistry最新文献

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Polymer-based ionic liquids in lithium batteries

IF 7.9 2区化学 Q1 CHEMISTRY, PHYSICAL

Current Opinion in Electrochemistry

Pub Date : 2024-12-24 DOI: 10.1016/j.coelec.2024.101639

Arup Ghorai , Aby Alex , Shashi Priya Balmuchu , Susanta Banerjee , Soumyadip Choudhury

Ionic liquids (ILs) offer advantages like low volatility, high stability, and conductivity, making them valuable in Li-ion and lithium-sulfur (Li–S) batteries compared to volatile organic solvents-based electrolytes and other green solvents such as deep eutectic solvents. ILs are propitious in Li–S batteries for reducing polysulfide solubility and preventing dendrite growth, but are hygroscopic, costly, and liquid in nature. Ionic liquids with polymerizable functionalities, such as vinyl groups, may undergo polymerization, thus resulting in a polymerized ionic liquid (PIL), which can be cast as film to serve as a separator loaded with lithium salts. The temperature dependence on ionic conductivity of PILs considering relaxation and segmental motion of the polymer chains are discussed with the help of mathematical expressions. Such PILs have significantly low moisture absorption, low or no flammability, and are castable as films, making them promising candidates for next-generation lithium battery electrolytes.

引用次数: 0

Salt matters: How ionic strength and electrolytes impact redox polymer reactivity and dynamics for energy storage

IF 7.9 2区化学 Q1 CHEMISTRY, PHYSICAL

Current Opinion in Electrochemistry

Pub Date : 2024-12-24 DOI: 10.1016/j.coelec.2024.101636

Abdelilah Asserghine , Nafisa Ibrahim , Shrayesh N. Patel , Joaquín Rodríguez-López

As the global demand for sustainable energy grows, redox-active polymers (RAPs) have emerged as promising materials for batteries due to their advantages in stability, ease of preparation, and low-cost processability. Despite factors traditionally known to impact polymer dynamics (e.g., temperature, viscosity, and structure), we posit that investigating the effect of ionic strength and/or supporting electrolyte types on the electrochemical performance of RAP systems is crucial, both in aqueous and nonaqueous systems. Here, we first highlight recent findings on RAP-electrolyte interactions, elucidating how their polyelectrolyte nature determines their redox activity. Then, we focus on strategies to enhance RAP performance for energy storage through ionic strength optimization and tailored electrolyte composition. These insights into the modulation of RAP reactivity provide a foundation for improving battery performance in both flow and stationary configurations, thus facilitating progress toward next-generation energy storage solutions.

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引用次数: 0

Recent advances in aqueous manganese-based flow batteries

IF 7.9 2区化学 Q1 CHEMISTRY, PHYSICAL

Current Opinion in Electrochemistry

Pub Date : 2024-12-20 DOI: 10.1016/j.coelec.2024.101637

Xiaoyi Wang , Zihan Yu , Yitong Niu , Chee Keong Lee , Cheu Peng Leh , Haoran Jiang

Aqueous manganese-based redox flow batteries (MRFBs) are attracting increasing attention for electrochemical energy storage systems due to their low cost, high safety, and environmentally friendly. However, due to the intricate and varied electrochemical reactions between manganese redox couples, the development of MRFBs still faces challenges including low efficiency and rapid capacity degradation, which inevitably limit its practical application in large-scale applications. Therefore, focusing on the reaction mechanism of Mn²⁺/Mn³⁺, Mn²⁺/MnO₂, and MnO₄^-/MnO₄²⁻ redox couples, this review identifies current challenges of MRFBs and summarizes recent advances in electrolyte optimization, electrode modification and battery structure design, aiming to pave the way for further development of MRFBs.

引用次数: 0

Electrochemical interface modelling for electrocatalytic materials design

IF 7.9 2区化学 Q1 CHEMISTRY, PHYSICAL

Current Opinion in Electrochemistry

Pub Date : 2024-12-19 DOI: 10.1016/j.coelec.2024.101638

Lucas Garcia Verga , Seung-Jae Shin , Aron Walsh

The advancement of net-zero emissions technologies requires an in-depth understanding of electrochemical reactions at electrified interfaces. Essential processes such as green hydrogen production and CO₂ reduction require sustainable electrocatalysts tailored for varied operational conditions. Computational techniques in electrocatalysis serve as crucial tools for providing microscopic insights and guiding towards higher-performing materials. Traditional modelling frameworks require approximations such as simplified surface models and an implicit description or neglect of electrolyte effects. A significant area for improvement is the treatment of the solid–liquid interface, where an explicit description of the electrolyte under realistic constant potential conditions remains the ultimate goal. This perspective examines recent advancements in charged interface modelling. We highlight cutting-edge simulation approaches, including the integration of machine learning techniques towards realistic atomic scale modelling for electrocatalytic materials design. As a case study, we focus on progress in understanding electrochemical nitrogen reduction for green ammonia production.

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引用次数: 0

Insights on the use of biobased hydrogels in electrochemical water treatment

IF 7.9 2区化学 Q1 CHEMISTRY, PHYSICAL

Current Opinion in Electrochemistry

Pub Date : 2024-12-18 DOI: 10.1016/j.coelec.2024.101635

Elaine Armelin , Sonia Lanzalaco

From the environmental perspective, it is essential to develop eco-friendly materials for water and wastewater treatment that can be integrated into the most effective technologies till now employed in this field. In this regard, biobased hydrogels (BBHs) represent a simple and free from harmful by-products solution to mitigate global water pollution. BBHs are natural polymers very interesting for their availability, price competitiveness, excellent biodegradability, biocompatibility, hydrophilicity, and superior physicochemical performance in water treatment. This review outlines the recent progress in developing and applying BBHs hydrogels in electrochemical water treatments, from advanced oxidation processes to microbial fuel cells, capacitive deionization, and the most innovative technologies based on the cogeneration of clean water and electricity. In addition, this review covers the BBH’s current limitations, such as low mechanical performance and poor stability, and provides valuable insights into the efficient applications of BBHs in the electrochemical treatments of water purification.

引用次数: 0

Electrochemistry-coupled surface plasmon resonance on 2D materials for analysis at solid–liquid interfaces

IF 7.9 2区化学 Q1 CHEMISTRY, PHYSICAL

Current Opinion in Electrochemistry

Pub Date : 2024-12-18 DOI: 10.1016/j.coelec.2024.101634

Robert Jungnickel, Kannan Balasubramanian

The integration of surface plasmon resonance (SPR) with electrochemistry constitutes a new analytical approach for the investigation of 2D materials (2DMs), such as the study of their electrochemical behavior or electrocatalytic properties. On the other hand, the use of a 2DM as an electrode combined with a plasmonic readout provides new opportunities for the fundamental study of electrochemical processes at the solid–liquid interface. In addition, 2D materials integrated in hyphenated electrochemical plasmonic devices enable the realization of biosensors utilizing novel transduction principles, based on their specialized physical properties. In this review, we collect recent progress in the use of combined electrochemistry-SPR approaches for the study of 2DM interfaces as well as devices with integrated 2DMs, which deliver additional analytical information or enable the realization of new kinds of sensors.

引用次数: 0

Single-atom catalysts for oxygen evolution reaction in acidic media 酸性介质中析氧反应的单原子催化剂

IF 7.9 2区化学 Q1 CHEMISTRY, PHYSICAL

Current Opinion in Electrochemistry

Pub Date : 2024-11-13 DOI: 10.1016/j.coelec.2024.101606

Jean Rouger, Sara Cavaliere, Frédéric Jaouen

The use of single-atom catalysts (SACs) for acidic oxygen evolution reaction (OER) is an emerging field of research with prospects to maximize the dispersion of active sites and the metal utilization. Therefore, it is promising for reducing the amount of noble metal needed to efficiently electrocatalyze the OER. The objective is to achieve comparable activity for conventionally unsupported and supported iridium and ruthenium oxide catalysts but with significantly lower loading of precious metal. The present review summarizes the recent progress in this field, discussing the preparation of such materials, the structural characterization techniques suited to probe single metal atoms as well as the hitherto achieved activity and stability in acidic OER conditions. We conclude the short review with a summary of the main observations and perspectives for this class of materials.

单原子催化剂用于酸性析氧反应（OER）是一个新兴的研究领域，具有最大限度地分散活性位点和提高金属利用率的前景。因此，减少有效电催化OER所需的贵金属量是有希望的。目的是实现与常规负载和负载铱和钌氧化物催化剂相当的活性，但贵金属负载明显降低。本文综述了该领域的最新进展，讨论了该类材料的制备、适合探测单金属原子的结构表征技术以及迄今为止在酸性OER条件下取得的活性和稳定性。最后，我们总结了这类材料的主要观察结果和观点。

引用次数: 0

Recent understanding on pore scale mass transfer phenomena of flow batteries: Theoretical simulation and experimental visualization 对流动电池孔隙尺度传质现象的最新认识：理论模拟和实验可视化

IF 7.9 2区化学 Q1 CHEMISTRY, PHYSICAL

Current Opinion in Electrochemistry

Pub Date : 2024-11-09 DOI: 10.1016/j.coelec.2024.101603

Xingyi Shi , Qixing Wu

The performance of flow batteries is critically influenced by mass, ion, and electron transport processes and electrochemical reactions within the heterogenous porous electrodes. Understanding these processes at the pore scale is essential because it is at this level that the fundamental mechanisms governing transport and reaction dynamics occur. However, investigating pore scale mass transfer phenomena presents significant challenges, including the complexity of resolving intricate pore geometries of electrodes and the opaque nature of the flow cells, which hinders in-operando visualization. This mini review aims to summarize recent advances in numerical modeling and experimental visualization of pore scale mass transfer phenomena in flow batteries. By highlighting the importance of pore scale insights, we provide key findings and propose future research directions that focus on advancing pore scale modeling and developing innovative experimental methods to achieve a deeper understanding of pore scale transport phenomena, which are vital for next-generation electrode designs.

液流电池的性能受到异质多孔电极内质量、离子和电子传输过程以及电化学反应的重要影响。在孔隙尺度上了解这些过程至关重要，因为正是在这个层面上发生了影响传输和反应动力学的基本机制。然而，研究孔隙尺度的传质现象面临着巨大的挑战，包括解决电极复杂的孔隙几何结构的复杂性和流动池的不透明性，这阻碍了操作中的可视化。本微型综述旨在总结流动电池中孔隙尺度传质现象的数值建模和实验可视化方面的最新进展。通过强调洞察孔隙尺度的重要性，我们提供了主要发现，并提出了未来的研究方向，重点是推进孔隙尺度建模和开发创新实验方法，以加深对孔隙尺度传质现象的理解，这对下一代电极设计至关重要。

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引用次数: 0

Investigating water structure and dynamics at metal/water interfaces from classical, ab initio to machine learning molecular dynamics 从经典、ab initio 到机器学习分子动力学，研究金属/水界面的水结构和动力学

IF 7.9 2区化学 Q1 CHEMISTRY, PHYSICAL

Current Opinion in Electrochemistry

Pub Date : 2024-11-08 DOI: 10.1016/j.coelec.2024.101605

Fei-Teng Wang , Jun Cheng

Metal-water interfaces are central to a wide range of crucial processes, including energy storage, energy conversion, and corrosion. Understanding the detailed structure and dynamics of water molecules at these interfaces is essential for unraveling the fundamental mechanisms driving these processes at the molecular level. Experimentally, a detection of interfacial structure and dynamics with high temporal and spatial resolution is lacking. The advances in machine learning molecular dynamics are offering an opportunity to address this issue with high accuracy and efficiency. To offer insights into the structure and dynamics, this review summarizes the progress made in determining the structure and dynamics of interfacial water molecules using molecular dynamics simulations. The possible application of machine learning molecular dynamics to address the fundamental challenges of simulating metal/water interfaces are also discussed.

金属-水界面是一系列关键过程的核心，包括能量储存、能量转换和腐蚀。了解水分子在这些界面上的详细结构和动态，对于在分子水平上揭示驱动这些过程的基本机制至关重要。在实验方面，目前还缺乏高时空分辨率的界面结构和动力学检测。机器学习分子动力学的进步为高精度、高效率地解决这一问题提供了机会。为了深入了解界面水分子的结构和动力学，本综述总结了利用分子动力学模拟确定界面水分子结构和动力学的进展。还讨论了机器学习分子动力学在解决金属/水界面模拟的基本挑战方面的可能应用。

引用次数: 0

How simulations help better understand mechanism and design materials? Learning from aqueous zinc-ion batteries 模拟如何帮助更好地理解机制和设计材料？从水锌离子电池中学习

IF 7.9 2区化学 Q1 CHEMISTRY, PHYSICAL

Current Opinion in Electrochemistry

Pub Date : 2024-11-07 DOI: 10.1016/j.coelec.2024.101600

Kun Zhang , Menglian Zheng

Aqueous zinc-ion batteries (AZIBs) have attracted widespread attention for large-scale energy storage. However, most of the practical phenomena assocaited with AZIBs can only be explained by using infinitely modified model theories; thus, the underlying mechanisms of reactions in the AZIBs remains challenging to characterize. The dynamic evolution in AZIBs' response to applied bias potentials makes it difficult to accurately observe the behavior with current techniques in a non-vacuum environment. In response, theoretical simulations have been widely conducted to investigate the mechanisms of reactions occurring in the AZIBs. These theoretical simulations can considerably improve the understanding of the fundamental mechanisms, and further guide the AZIBs development. Density functional theory (DFT) calculations, molecular dynamics (MD) simulations and COMSOL simulations are three common approaches in the literature, which correspond to atomic-scale, molecular-scale and mesoscale analyses, respectively. Here, we summarize the key insights gained from these simulations to date and present our perspective on future research directions within this field.

水溶液锌离子电池（azib）在大规模储能方面受到广泛关注。然而，大多数与azib相关的实际现象只能用无限修正的模型理论来解释；因此，azib反应的潜在机制仍然具有挑战性。azib对外加偏置电位响应的动态演变使得现有技术难以在非真空环境下准确观察其行为。作为回应，理论模拟已经被广泛地用于研究azib中发生的反应机制。这些理论模拟可以大大提高对azib基本机制的理解，并进一步指导azib的发展。密度泛函理论（DFT）计算、分子动力学（MD）模拟和COMSOL模拟是文献中常用的三种方法，分别对应于原子尺度、分子尺度和中尺度分析。在这里，我们总结了迄今为止从这些模拟中获得的关键见解，并提出了我们对该领域未来研究方向的看法。

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