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The importance of precise and suitable descriptors in data-driven approach to boost development of lithium batteries: A perspective 数据驱动法中精确、合适的描述符对促进锂电池开发的重要性:透视
Pub Date : 2024-06-02 DOI: 10.1002/elt2.41
Zehua Wang, Li Wang, Hao Zhang, Hong Xu, Xiangming He

Conventional approaches for developing new materials may no longer be adequate to meet the urgent needs of humanity's energy transition. The emergence of machine learning (ML) and artificial intelligence (AI) has led materials scientists to recognize the potential of using AI/ML to accelerate the creation of new battery materials. Although fixed material properties have been extensively studied as descriptors to establish the link between AI and materials chemistry, they often lack versatility and accuracy due to a lack of understanding of the underlying mechanisms of AI/ML. Therefore, materials scientists need to have a comprehensive understanding of the operational mechanisms and learning logic of AI/ML to design more accurate descriptors. This paper provides a review of previous research studies conducted on AI, ML, and descriptors, which have been used to address challenges at various levels, ranging from materials development to battery performance prediction. Additionally, it introduces the basics of AI and ML to assist materials and battery developers in comprehending their operational mechanisms. The paper demonstrates the significance of precise and suitable ML descriptors in the creation of new battery materials. It does so by providing examples, summarizing current descriptors and ML algorithms, and examining the potential implications of future AI advancements for the sustainable energy industry.

开发新材料的传统方法可能已无法满足人类能源转型的迫切需求。机器学习(ML)和人工智能(AI)的出现使材料科学家认识到利用 AI/ML 加速创造新型电池材料的潜力。虽然固定的材料属性已被广泛研究,作为建立人工智能与材料化学之间联系的描述符,但由于缺乏对人工智能/ML 潜在机制的了解,这些属性往往缺乏通用性和准确性。因此,材料科学家需要全面了解人工智能/ML 的运行机制和学习逻辑,以设计出更精确的描述符。本文回顾了以往关于人工智能、ML 和描述符的研究,这些研究已被用于应对从材料开发到电池性能预测等不同层面的挑战。此外,论文还介绍了人工智能和 ML 的基础知识,以帮助材料和电池开发人员理解其运行机制。本文展示了精确、合适的 ML 描述符对创造新型电池材料的重要意义。本文通过举例说明、总结当前的描述符和 ML 算法,以及研究未来人工智能进步对可持续能源行业的潜在影响来实现这一目的。
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引用次数: 0
Cover Image, Volume 2, Number 2, May 2024 封面图片,第 2 卷第 2 号,2024 年 5 月
Pub Date : 2024-05-30 DOI: 10.1002/elt2.54
Gaihong Wang, Zhijie Chen, Wei Wei, Bing-Jie Ni

Electro-upcycling of plastic provides a new avenue for sustainable plastic waste management and fuel/chemical production in a low-carbon manner. In this review (DOI: 10.1002/elt2.34), we comprehensively examine recent advances in the development of plastic waste electro-upcycling. Key electrooxidation reactions involved in the electrochemical conversion of diverse plastic waste, advanced integrated electrolysis systems, and efficient electrocatalyst design strategies are fully discussed. We also analyze perspectives for guiding further study in this emerging field.

塑料电循环利用为可持续塑料废物管理和低碳燃料/化学品生产提供了一条新途径。在这篇综述(DOI: 10.1002/elt2.34)中,我们全面探讨了塑料废物电升级循环利用的最新进展。文中充分讨论了各种塑料废弃物电化学转化过程中涉及的关键电氧化反应、先进的集成电解系统以及高效电催化剂的设计策略。我们还分析了指导这一新兴领域进一步研究的前景。
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引用次数: 0
Cover Image, Volume 2, Number 2, May 2024 封面图片,第 2 卷第 2 号,2024 年 5 月
Pub Date : 2024-05-30 DOI: 10.1002/elt2.53
Jinghai Li, Yanyan Gong, William W. Yu

Perovskite field-effect transistors (FETs) find their commercial use in logic circuits manufactured through solution printing. However, the preparation of high-performance FETs that satisfy commercial standards is significantly challenged by the issue of ion migration. In the cover image (DOI: 10.1002/elt2.28), there is a logic circuit background, a perovskite FET structure diagram, and an enlarged schematic diagram of suppression of ion migration.

过氧化物场效应晶体管(FET)在通过溶液印刷制造的逻辑电路中得到了商业应用。然而,要制备出符合商业标准的高性能场效应晶体管,离子迁移问题是一大挑战。在封面图片(DOI: 10.1002/elt2.28)中,有逻辑电路背景、包晶场效应晶体管结构图和抑制离子迁移的放大示意图。
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引用次数: 0
Account of eco-friendly energy conversion reaction: Iron-based nitrogen electrofixation 生态友好型能量转换反应的描述:铁基氮电固定
Pub Date : 2024-05-30 DOI: 10.1002/elt2.40
Liyuan Xu, Zheng Zhu, Jingjing Duan, Sheng Chen

Ammonia is a crucial raw ingredient used in the manufacturing of fertilizers and pharmaceuticals, which are major sectors of the national economy in the chemical and agricultural industries. The conventional Haber–Bosch method is still in use in the industry today to manufacture NH3, and the production process emits a significant quantity of CO2, which does not match the current standards for the achievement of carbon neutrality. The nitrogen reduction reaction (NRR) technology has garnered a lot of attention lately because of its benefits, which include being environmentally friendly, sustainable, and able to function in mild environments. However, NRR is still in its early stages of development and confronts numerous difficult issues, including slow reaction kinetics, low ammonia yield rates and Faradaic efficiency (FE), and a dearth of effective research on nitrogen fixation as a whole. This paper aims to promote the industrialization of NRR, summarizing the progress of iron-based catalysts, including single atomic catalysts, organic frameworks, metal oxides the, and alloys. Eventually, this paper discusses the strategies for improving NH3 yield rates and FE, improving reaction kinetics, and building a sustainable overall nitrogen fixation system. The development of iron-based catalysts in other fields has also been prospected.

氨是生产化肥和药品的重要原料,化肥和药品是国民经济中化学工业和农业的主要部门。传统的哈伯-博世法至今仍在工业中使用,以制造NH3,生产过程中排放大量的二氧化碳,这与目前实现碳中和的标准不符。氮还原反应(NRR)技术由于其环境友好、可持续发展以及能够在温和环境中发挥作用等优点,近年来引起了人们的广泛关注。然而,NRR仍处于早期发展阶段,面临着许多难题,包括反应动力学缓慢,氨收率和法拉第效率(FE)低,以及缺乏对整体固氮的有效研究。本文旨在促进铁基催化剂的产业化,综述了铁基催化剂的研究进展,包括单原子催化剂、有机骨架催化剂、金属氧化物催化剂和合金催化剂。最后,探讨了提高NH3产率和FE,改善反应动力学,建立可持续的整体固氮体系的策略。对铁基催化剂在其他领域的发展进行了展望。
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引用次数: 0
Cellulose-based smart materials: Novel synthesis techniques, properties, and applications in energy storage and conversion devices 纤维素基智能材料:新型合成技术、特性以及在能量存储和转换设备中的应用
Pub Date : 2024-05-25 DOI: 10.1002/elt2.42
Pariksha Bishnoi, Samarjeet Singh Siwal, Vinod Kumar, Vijay Kumar Thakur

There has been a significant scope toward the cutting-edge investigations in hierarchical carbon nanostructured electrodes originating from cellulosic materials, such as cellulose nanofibers, available from natural cellulose and bacterial cellulose. Elements of energy storage systems (ESSs) are typically established upon inorganic/metal mixtures, carbonaceous implications, and petroleum-derived hydrocarbon chemicals. However, these conventional substances may need help fulfilling the ever-increasing needs of ESSs. Nanocellulose has grown significantly as an impressive 1D element due to its natural availability, eco-friendliness, recyclability, structural identity, simple transformation, and dimensional durability. Here, in this review article, we have discussed the role and overview of cellulose-based hydrogels in ESSs. Additionally, the extraction sources and solvents used for dissolution have been discussed in detail. Finally, the properties (such as self-healing, transparency, strength and swelling behavior), and applications (such as flexible batteries, fuel cells, solar cells, flexible supercapacitors and carbon-based derived from cellulose) in energy storage devices and conclusion with existing challenges have been updated with recent findings.

对源自纤维素材料(如纤维素纳米纤维,可从天然纤维素和细菌纤维素中获得)的分层碳纳米结构电极的前沿研究取得了重大进展。储能系统(ESS)的元件通常建立在无机/金属混合物、碳质影响和石油衍生烃类化学品的基础上。然而,这些传统物质可能需要帮助才能满足 ESS 不断增长的需求。纳米纤维素因其天然可用性、生态友好性、可回收性、结构特性、简单转化和尺寸耐久性,已成为一种令人印象深刻的一维元素。在这篇综述文章中,我们讨论了纤维素基水凝胶在 ESS 中的作用和概况。此外,还详细讨论了用于溶解的提取源和溶剂。最后,我们根据最新研究成果更新了纤维素水凝胶在储能设备中的特性(如自愈性、透明度、强度和膨胀行为)和应用(如柔性电池、燃料电池、太阳能电池、柔性超级电容器和纤维素衍生碳基),并总结了现有的挑战。
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引用次数: 0
Hybrid silver nanoparticles: Modes of synthesis and various biomedical applications 杂化银纳米粒子:合成模式和各种生物医学应用
Pub Date : 2024-05-24 DOI: 10.1002/elt2.22
Priyanka Singh, Shivang Singh, Balaji Maddiboyina, SaiKrishna Kandalam, Tomasz Walski, Raghvendra A. Bohara

In the present day, there is a growing trend of employing new strategies to synthesize hybrid nanoparticles, which involve combining various functionalities into a single nanocomposite system. These modern methods differ significantly from the traditional classical approaches and have emerged at the forefront of materials science. The fabrication of hybrid nanomaterials presents an unparalleled opportunity for applications in a wide range of areas, including therapy to diagnosis. The focus of this review article is to shed light on the different modalities of hybrid nanoparticles, providing a concise description of hybrid silver nanoparticles, exploring various modes of synthesis and classification of hybrid silver nanoparticles, and highlighting their advantages. Additionally, we discussed core-shell silver nanoparticles and various types of core and shell combinations based on the material category, such as dielectric, metal, or semiconductor. The two primary classes of hybrid silver nanoparticles were also reviewed. Furthermore, various hybrid nanoparticles and their methods of synthesis were discussed but we emphasize silica as a suitable candidate for hybridization alongside metal nanoparticles. This choice is due to its hydrophilic surface qualities and high surface charge, which provide the desired repulsive forces to minimize aggregation between the metal nanoparticles in the liquid solution. Silica shell encapsulation also provides chemical inertness, robustness and the adaptability to the desired hybrid nanoparticle. Therefore, among all the materials used to coat metal nanoparticles; silica is highly approved.

当今,采用新策略合成混合纳米粒子的趋势日益明显,这涉及将各种功能结合到一个单一的纳米复合系统中。这些现代方法与传统的经典方法大相径庭,已成为材料科学的前沿技术。混合纳米材料的制造为治疗和诊断等广泛领域的应用提供了无与伦比的机会。这篇综述文章的重点是阐明杂化纳米粒子的不同模式,简明扼要地描述杂化银纳米粒子,探讨杂化银纳米粒子的各种合成模式和分类,并强调其优势。此外,我们还讨论了核壳银纳米粒子以及基于介电、金属或半导体等材料类别的各种核壳组合。我们还回顾了两种主要的混合银纳米粒子。此外,还讨论了各种混合纳米粒子及其合成方法,但我们强调二氧化硅是与金属纳米粒子混合的合适候选材料。之所以选择二氧化硅,是因为它具有亲水性表面质量和高表面电荷,可提供所需的排斥力,最大限度地减少金属纳米粒子在液态溶液中的聚集。二氧化硅外壳封装还具有化学惰性、坚固性和对所需混合纳米粒子的适应性。因此,在所有用于包覆金属纳米粒子的材料中,二氧化硅备受认可。
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引用次数: 0
Engineering strategies for high-voltage LiCoO2 based high-energy Li-ion batteries 基于高电压钴酸锂的高能锂离子电池的工程设计策略
Pub Date : 2024-05-12 DOI: 10.1002/elt2.33
Xiaoshuang Ma, Jinkun Wang, Zehua Wang, Li Wang, Hong Xu, Xiangming He

To drive electronic devices for a long range, the energy density of Li-ion batteries must be further enhanced, and high-energy cathode materials are required. Among the cathode materials, LiCoO2 (LCO) is one of the most promising candidates when charged to higher voltages over 4.3 V. However, high-voltage LCO materials are confronted with severe surface and bulk issues inducing poor cyclic stability. To completely unleash the potential of LCO cathodes, a more comprehensive theoretical understanding of the underlying issues is necessary, along with active exploration of previous modifications. This paper mainly presents the degradation mechanisms of LCO under high voltage, the formation and evolution mechanisms of the cathode electrolyte interface, and the surface engineering strategies employed to enhance the cell performance. By organizing and summarizing these modifications, this work aims to establish associations among common research issues and to suggest future research priorities, thus facilitating the rapid development of high-voltage LCO.

为了长距离驱动电子设备,必须进一步提高锂离子电池的能量密度,这就需要高能阴极材料。在这些阴极材料中,钴酸锂(LCO)是充电电压超过 4.3 V 的最有前途的候选材料之一。然而,高压钴酸锂材料面临着严重的表面和体积问题,导致循环稳定性差。要完全释放 LCO 阴极的潜力,就必须从理论上更全面地了解其根本问题,同时积极探索以前的改性方法。本文主要介绍了 LCO 在高电压下的降解机制、阴极电解质界面的形成和演化机制,以及为提高电池性能而采用的表面工程策略。通过对这些改造的整理和总结,本文旨在建立共性研究问题之间的关联,并提出未来的研究重点,从而促进高压 LCO 的快速发展。
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引用次数: 0
Developments of photo-/electro-catalysis based on covalent organic frameworks: A review 基于共价有机框架的光催化/电催化技术的发展:综述
Pub Date : 2024-05-11 DOI: 10.1002/elt2.39
Guiping Yang, Qing Xu, Gaofeng Zeng

Photo-/electro-catalysis has the characteristics of low cost, high performance, and zero pollution, which meet the policies on environment and energy. Covalent organic frameworks (COFs), a type of crystalline organic skeleton polymers, have been widely applied and investigated in the area of photo-/electro-catalysis owing to their advantages of large specific surface area, regular pore size, excellent stability, flexible structural design, and massive active sites. This article reviews the structural characteristics of COFs and the strategies for strengthening the photo-/electro-catalytic activity of COF materials. Subsequently, deep insights were put into the photo-/electro-catalysis application of COF materials. In the end, the development prospects and challenges faced by COF materials in photo-/electro-catalysis are discussed.

光催化/电催化具有低成本、高性能、零污染等特点,符合环境和能源政策。共价有机框架(COFs)是一种结晶有机骨架聚合物,具有比表面积大、孔径规则、稳定性好、结构设计灵活、活性位点多等优点,在光催化/电催化领域得到了广泛的应用和研究。本文综述了 COF 的结构特点以及增强 COF 材料光催化/电催化活性的策略。随后,对 COF 材料的光催化/电催化应用进行了深入探讨。最后,讨论了 COF 材料在光催化/电催化领域的发展前景和面临的挑战。
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引用次数: 0
Electrocatalysis-driven sustainable plastic waste upcycling 电催化驱动的可持续塑料废物再循环
Pub Date : 2024-04-29 DOI: 10.1002/elt2.34
Gaihong Wang, Zhijie Chen, Wei Wei, Bing-Jie Ni

With large quantities and natural resistance to degradation, plastic waste raises growing environmental concerns in the world. To achieve the upcycling of plastic waste into value-added products, the electrocatalytic-driven process is emerging as an attractive option due to the mild operation conditions, high reaction selectivity, and low carbon emission. Herein, this review provides a comprehensive overview of the upgrading of plastic waste via electrocatalysis. Specifically, key electrooxidation processes including the target products, intermediates and reaction pathways in the plastic electro-reforming process are discussed. Subsequently, advanced electrochemical systems, including the integration of anodic plastic monomer oxidation and value-added cathodic reduction and photo-involved electrolysis processes, are summarized. The design strategies of electrocatalysts with enhanced activity are highlighted and catalytic mechanisms in the electrocatalytic oxidation of plastic waste are elucidated. To promote the electrochemistry-driven sustainable upcycling of plastic waste, challenges and opportunities are further put forward.

塑料废弃物数量大、天然耐降解,在全球引发了越来越多的环境问题。为实现塑料废弃物的升级再循环,电催化驱动工艺因其操作条件温和、反应选择性高、碳排放低等优点而成为一种极具吸引力的选择。在此,本综述全面概述了通过电催化将塑料废弃物升级的过程。具体而言,本文讨论了关键的电氧化过程,包括塑料电转化过程中的目标产物、中间产物和反应途径。随后,总结了先进的电化学系统,包括塑料单体阳极氧化和增值阴极还原以及光参与电解过程的整合。重点介绍了具有更高活性的电催化剂的设计策略,并阐明了塑料废弃物电催化氧化的催化机理。为促进电化学驱动的塑料废物可持续升级再循环,进一步提出了挑战和机遇。
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引用次数: 0
Colloidal quantum dots and two-dimensional material heterostructures for photodetector applications 应用于光电探测器的胶体量子点和二维材料异质结构
Pub Date : 2024-04-05 DOI: 10.1002/elt2.30
Jingying Luo, Gurpreet Singh Selopal, Xin Tong, Zhiming Wang

Photodetectors (PDs) are optoelectronic devices that convert optical signals into electrical responses. Recently, there has been a tremendous increase in research interest in PDs based on colloidal quantum dots (QDs) and two-dimensional (2D) material heterostructures owing to the strong light-absorption capacity and the well-adjustable band gap of QDs and the superior charge carriers transfer ability of 2D materials. In particular, the heterojunction formed between QDs and 2D materials can effectively enhance the separation and transport of photogenerated charge carriers, which is expected to establish PDs with ultrahigh photoconductive gain, high responsivity, and detectivity. This review aimed to summarize the state-of-the-art advances in the research of QDs/2D material nanohybrid PDs, including the device parameters, architectures, working mechanisms, and fabrication technologies. The progress of hybrid PDs based on the heterojunction of QDs with different 2D materials, along with their innovative applications, are comprehensively described. In the end, the challenges and feasible strategies in future research and development are briefly proposed.

光电探测器(PD)是一种将光信号转换为电响应的光电设备。近来,基于胶体量子点(QDs)和二维(2D)材料异质结构的光电探测器的研究兴趣大增,这是因为 QDs 具有很强的光吸收能力和良好的带隙调节性,而二维材料则具有卓越的电荷载流子传输能力。特别是,QDs 与二维材料之间形成的异质结能有效增强光生电荷载流子的分离和传输,从而有望建立具有超高光电导增益、高响应度和检测度的 PDs。本综述旨在总结 QDs/2D 材料纳米混合光导器件研究的最新进展,包括器件参数、结构、工作机制和制造技术。报告全面介绍了基于 QDs 与不同二维材料异质结的混合光导器件的研究进展及其创新应用。最后,简要提出了未来研究与开发的挑战和可行策略。
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引用次数: 0
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Electron
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