Theoretical insights and design of MXene for aqueous batteries and supercapacitors: status, challenges, and perspectives.

IF 8 2区材料科学 Q1 CHEMISTRY, PHYSICAL Nanoscale Horizons Pub Date : 2024-11-13 DOI:10.1039/d4nh00305e

Jun Zhao, Ninggui Ma, Tairan Wang, Yuhang Wang, Bochun Liang, Yaqin Zhang, Shuang Luo, Yu Xiong, Qianqian Wang, Jun Fan

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Abstract

Aqueous batteries and supercapacitors are promising electrochemical energy storage systems (EESSs) due to their low cost, environmental friendliness, and high safety. However, aqueous EESS development faces challenges like narrow electrochemical windows, irreversible dendrite growth, corrosion, and low energy density. Recently, two-dimensional (2D) transition metal carbide and nitride (MXene) have attracted more attention due to their excellent physicochemical properties and potential applications in aqueous EESSs. Understanding the atomic-level working mechanism of MXene in energy storage through theoretical calculations is necessary to advance aqueous EESS development. This review comprehensively summarizes the theoretical insights into MXene in aqueous batteries and supercapacitors. First, the basic properties of MXene, including structural composition, experimental and theoretical synthesis, and advantages in EESSs are introduced. Then, the energy storage mechanism of MXene in aqueous batteries and supercapacitors is summarized from a theoretical calculation perspective. Additionally, the theoretical insights into the side reactions and stability issues of MXene in aqueous EESSs are emphasized. Finally, the prospects of designing MXene for aqueous EESSs through computational methods are given.

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用于水电池和超级电容器的 MXene 的理论见解和设计：现状、挑战和前景。

水电池和超级电容器因其低成本、环保和高安全性而成为前景广阔的电化学储能系统（EESS）。然而，水性 EESS 的开发面临着电化学窗口狭窄、不可逆枝晶生长、腐蚀和低能量密度等挑战。最近，二维（2D）过渡金属碳化物和氮化物（MXene）因其优异的物理化学特性和在水性 EESS 中的潜在应用而受到越来越多的关注。通过理论计算了解 MXene 在储能中的原子级工作机理对于推动水性 EESS 的发展十分必要。本综述全面总结了 MXene 在水性电池和超级电容器中的理论研究。首先，介绍了 MXene 的基本特性，包括结构组成、实验和理论合成以及在 EESS 中的优势。然后，从理论计算的角度总结了 MXene 在水电池和超级电容器中的储能机理。此外，还强调了对 MXene 在水性 EESSs 中的副反应和稳定性问题的理论见解。最后，介绍了通过计算方法为水性 EESSs 设计 MXene 的前景。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Nanoscale Horizons Materials Science-General Materials Science

CiteScore

16.30

自引率

1.00%

发文量

141

期刊介绍： Nanoscale Horizons stands out as a premier journal for publishing exceptionally high-quality and innovative nanoscience and nanotechnology. The emphasis lies on original research that introduces a new concept or a novel perspective (a conceptual advance), prioritizing this over reporting technological improvements. Nevertheless, outstanding articles showcasing truly groundbreaking developments, including record-breaking performance, may also find a place in the journal. Published work must be of substantial general interest to our broad and diverse readership across the nanoscience and nanotechnology community.