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A systematic study of switching, optoelectronics, and gas‐sensitive properties of PCF‐graphene‐based nanodevices: Insights from DFT study 对 PCF 石墨烯基纳米器件的开关、光电和气敏特性的系统研究:DFT 研究的启示
Pub Date : 2024-08-09 DOI: 10.1002/cnl2.156
Wenhao Yang, Tong Chen, Luzhen Xie, Yang Yu, Mengqiu Long, Liang Xu
Two‐dimensional materials exhibit significant potential and wide‐ranging application prospects owing to their remarkable tunability, pronounced quantum confinement effects, and notable surface sensitivity. The switching, optoelectronics, and gas‐sensitive properties of the new carbon material poly‐cyclooctatetraene framework (PCF)‐graphene were systematically studied using density functional theory combined with the nonequilibrium Green's function method. First, the diode device based on PCF‐graphene monolayer exhibited an impressive switching ratio of 106, demonstrating excellent diode characteristics. Moreover, in the investigation of the pin junction utilizing monolayer PCF‐graphene, it is noteworthy that significant photocurrent responses were observed in both the zigzag and armchair directions, specifically within the visible and ultraviolet regions. Finally, gas sensors employing monolayer and bilayer PCF‐graphene demonstrate significant chemical adsorption capabilities for NO and NO2. Notably, the maximum gas sensitivity for NO is achieved in monolayer PCF‐graphene, reaching 322% at a bias voltage of 1.0 V. Meanwhile, for bilayer PCF‐graphene‐based gas sensor, the maximum gas sensitivity reaches 52% at a bias voltage of 0.4 V. In addition, the study also examined the influence of various environmental conditions, specifically H2O, O, and OH, on the system under investigation. The obtained results emphasize the multifunctional properties of PCF‐graphene, exhibiting significant potential for various applications, including switching devices, optoelectronic devices, and gas sensors.
二维材料因其显著的可调谐性、明显的量子约束效应和明显的表面敏感性而展现出巨大的潜力和广泛的应用前景。本研究采用密度泛函理论结合非平衡格林函数方法,系统地研究了新型碳材料聚环辛四烯框架(PCF)-石墨烯的开关、光电和气敏特性。首先,基于 PCF-石墨烯单层的二极管器件的开关比达到了惊人的 106,显示出优异的二极管特性。此外,在研究利用单层 PCF 石墨烯的引脚结时,值得注意的是在之字形和扶手椅方向都观察到了显著的光电流响应,特别是在可见光和紫外线区域。最后,采用单层和双层 PCF 石墨烯的气体传感器对 NO 和 NO2 具有显著的化学吸附能力。值得注意的是,单层 PCF 石墨烯对 NO 的气体灵敏度最高,在偏置电压为 1.0 V 时达到 322%。同时,对于基于双层 PCF 石墨烯的气体传感器,在偏置电压为 0.4 V 时,最大气体灵敏度达到 52%。此外,研究还考察了各种环境条件(特别是 H2O、O 和 OH)对所研究系统的影响。研究结果表明,PCF-石墨烯具有多功能特性,在开关器件、光电器件和气体传感器等各种应用领域具有巨大潜力。
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引用次数: 0
Front Cover: Carbon Neutralization, Volume 3, Issue 4, July 2024 封面:碳中和》,第 3 卷第 4 期,2024 年 7 月
Pub Date : 2024-07-29 DOI: 10.1002/cnl2.159

Front cover image: By serving as conductive binders, active material hosts, current collectors, and even as components of separators and interlayers, MXenes have demonstrated their adaptability and multifunctionality in different battery chemistries. Their ability to mitigate issues like dendrite growth, shuttle effects, and poor mechanical stability have significant implications for extending battery lifespan, increasing energy density, and ensuring operational safety.

封面图片:通过充当导电粘合剂、活性材料宿主、电流收集器,甚至作为隔膜和夹层的成分,MXenes 已证明了其在不同电池化学成分中的适应性和多功能性。它们能够缓解枝晶生长、穿梭效应和机械稳定性差等问题,对延长电池寿命、提高能量密度和确保操作安全具有重要意义。
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引用次数: 0
Back Cover Image: Carbon Neutralization, Volume 3, Issue 4, July 2024 封底图片:碳中和》,第 3 卷第 4 期,2024 年 7 月
Pub Date : 2024-07-29 DOI: 10.1002/cnl2.161

Back cover image: Currently, developing advanced energy storage and conversion systems is of great significance. In the review, the strategies for realizing high-performance anode-free rechargeable batteries enabled by interfacial regulation engineering are summarized, mainly including designing of current collector, introducing of surface coating layers, modification of electrolyte, separators engineering and cathode materials regulation.

封底图片:当前,开发先进的能量存储和转换系统意义重大。本综述总结了通过界面调控工程实现高性能无阳极充电电池的策略,主要包括集流体设计、表面涂层引入、电解质改性、隔膜工程和阴极材料调控。
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引用次数: 0
Inside Front Cover Image: Carbon Neutralization, Volume 3, Issue 4, July 2024 封面内页图片:碳中和》,第 3 卷第 4 期,2024 年 7 月
Pub Date : 2024-07-29 DOI: 10.1002/cnl2.160

Inside front cover image: The image is related to the recycling of chicken feathers, aiming to state the energy and environmental applications of materials derived from chicken feathers. In this image, the applications, such as battery, catalysis and architectural field, surround a chicken feather, demonstrating the application potential of chicken feather waste. Besides, the clear water and beautiful environment indicate the effectiveness of recycled chicken feathers in energy and environmental fields.

封面内页图片:该图片与鸡毛的回收利用有关,旨在说明从鸡毛中提取的材料在能源和环境方面的应用。在这幅图中,电池、催化和建筑领域等应用围绕着一根鸡毛,展示了鸡毛废弃物的应用潜力。此外,清澈的水和优美的环境也表明了回收鸡毛在能源和环境领域的有效性。
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引用次数: 0
Bismuth-based metal-organic frameworks and derivatives for photocatalytic applications in energy and environment: Advances and challenges 铋基金属有机框架及其衍生物在能源和环境领域的光催化应用:进展与挑战
Pub Date : 2024-07-04 DOI: 10.1002/cnl2.153
Yankun Wang, He Sun, Zhuxian Yang, Yanqiu Zhu, Yongde Xia

Photocatalysis is an environmentally friendly technology for the utilizations of solar energy and has garnered significant attention in both scientific and industrial sectors. Developing cost-effective semiconductive materials is the core issue in photocatalysis. Bismuth-based metal-organic frameworks (Bi-MOFs) have emerged as attractive candidates in various photocatalytic applications, and Bi-MOFs derivatives further expand and consolidate their promising potential in the realm of photocatalysis. Various modification strategies including in-situ tailoring or external doping, as well as meticulous design and selection of metal nodes and organic linkers allow for fine control over the surface multifunctionality in Bi-MOF-based and derived photocatalytic composites with adjustable energy band structures and enhanced photocatalytic performance. In this review, the recent progress in the synthesis of diverse Bi-MOFs-based materials, Bi-MOFs derivatives, and their Bi-containing semiconductive composites were systemically analyzed and reviewed. The state-of-the-art research progresses in the applications of Bi-MOFs and derivatives, as well as composites in photocatalytic water splitting for hydrogen production, photodegradation of organic pollutants, and photocatalytic carbon dioxide reduction are comprehensively summarized. The relationships between structures, properties, and photocatalytic performance of Bi-based semiconductive composites are discussed in detail. In addition, the perspectives and future challenges on Bi-MOFs-based and derived materials for photocatalytic applications are also offered.

光催化是一种利用太阳能的环保技术,在科学界和工业界都备受关注。开发具有成本效益的半导体材料是光催化技术的核心问题。铋基金属有机框架(Bi-MOFs)已成为各种光催化应用中极具吸引力的候选材料,Bi-MOFs 衍生物进一步拓展和巩固了其在光催化领域的巨大潜力。各种改性策略,包括原位定制或外部掺杂,以及金属节点和有机连接体的精心设计和选择,使得基于 Bi-MOF 及其衍生光催化复合材料的表面多功能性得到精细控制,能带结构可调,光催化性能增强。在这篇综述中,系统分析和综述了最近在合成各种基于 Bi-MOFs 的材料、Bi-MOFs 衍生物及其含 Bi- 半导体复合材料方面取得的进展。全面总结了 Bi-MOFs 及其衍生物和复合材料在光催化水分离制氢、光降解有机污染物和光催化还原二氧化碳等方面的最新研究进展。详细讨论了 Bi 基半导体复合材料的结构、性能和光催化性能之间的关系。此外,还对基于 Bi-MOFs 的光催化应用及其衍生材料的前景和未来挑战进行了展望。
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引用次数: 0
Research progress of electrocatalysts for hydrogen oxidation reaction in alkaline media 碱性介质中氢氧化反应电催化剂的研究进展
Pub Date : 2024-06-25 DOI: 10.1002/cnl2.152
Youze Zeng, Xue Wang, Yang Hu, Wei Qi, Zhuoqi Wang, Meiling Xiao, Changpeng Liu, Wei Xing, Jianbing Zhu

Anion exchange membrane fuel cells (AEMFCs) have been hailed as a promising hydrogen energy technology due to high energy conversion efficiency, zero carbon emission and the potential independence on scare and expensive noble metal electrocatalysts. A variety of platinum group metal (PGM)-free catalysts has been developed with superior catalytic performance to noble metal benchmarks toward cathodic oxygen reduction reactions (ORR). However, PGM electrocatalysts still dominate the anodic catalyst research because the kinetics of hydrogen oxidation reaction (HOR) are two or three orders of magnitude slower than in that acidic media. Therefore, it is urgently desirable to improve noble metal utilization efficiency and/or develop high-performance PGM-free electrocatalysts for HOR, thus promoting the real-world implementation of AEMFCs. In this review, the current research progress of electrocatalysts for HOR in alkaline media is summarized. We start with the discussion on the current HOR reaction mechanisms and existing controversies. Then, methodologies to improve the HOR performance are reviewed. Following these principles, the recently developed HOR electrocatalysts including PGM and PGM-free HOR electrocatalysts in alkaline media are systematically introduced. Finally, we put forward the challenges and prospects in the field of HOR catalysis.

阴离子交换膜燃料电池(AEMFCs)具有高能量转换效率、零碳排放以及独立于昂贵的贵金属电催化剂的潜力,因此被誉为前景广阔的氢能技术。目前已开发出多种不含铂族金属(PGM)的催化剂,其阴极氧还原反应(ORR)的催化性能优于贵金属基准。然而,由于氢氧化反应(HOR)的动力学比在酸性介质中慢两到三个数量级,因此铂族金属电催化剂仍然在阳极催化剂研究中占主导地位。因此,当务之急是提高贵金属的利用效率和/或开发高性能的不含 PGM 的氢氧化反应电催化剂,从而促进 AEMFCs 在现实世界中的应用。本综述总结了目前碱性介质中 HOR 电催化剂的研究进展。我们首先讨论了当前的 HOR 反应机理和存在的争议。然后,回顾了提高 HOR 性能的方法。根据这些原则,系统介绍了最近开发的 HOR 电催化剂,包括碱性介质中的 PGM 和无 PGM HOR 电催化剂。最后,我们提出了 HOR 催化领域的挑战和前景。
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引用次数: 0
Recent advances in robust and ultra-thin Li metal anode 坚固超薄锂金属阳极的最新进展
Pub Date : 2024-06-17 DOI: 10.1002/cnl2.147
Zheng Luo, Yang Cao, Guobao Xu, Wenrui Sun, Xuhuan Xiao, Hui Liu, Shanshan Wang

Li metal batteries have been widely expected to break the energy-density limits of current Li-ion batteries, showing impressive prospects for the next-generation electrochemical energy storage system. Although much progress has been achieved in stabilizing the Li metal anode, the current Li electrode still lacks efficiency and safety. Moreover, a practical Li metal battery requires a thickness-controllable Li electrode to maximally balance the energy density and stability. However, due to the stickiness and fragile nature of Li metal, manufacturing Li ingot into thin electrodes from conventional approaches has historically remained challenging, limiting the sufficient utilization of energy density in Li metal batteries. Aiming at the practical application of Li metal anode, the current issues and their initiation mechanism are comprehensively summarized from the stability and processability perspectives. Recent advances in robust and ultra-thin Li metal anode are outlined from methodology innovation to provide an overall insight. Finally, challenges and prospective developments regarding this burgeoning field are critically discussed to afford future outlooks. With the development of advanced processing and modification technology, we are optimistic that a truly great leap will be achieved in the foreseeable future toward the industrial application of Li metal batteries.

人们普遍期待锂金属电池能够突破目前锂离子电池的能量密度极限,为下一代电化学储能系统展现出令人瞩目的前景。虽然在稳定锂金属阳极方面取得了很大进展,但目前的锂电极仍然缺乏效率和安全性。此外,实用的金属锂电池需要厚度可控的锂电极,以最大限度地平衡能量密度和稳定性。然而,由于锂金属的粘性和易碎性,用传统方法将锂锭制成薄电极一直是个挑战,限制了锂金属电池能量密度的充分发挥。针对锂金属负极的实际应用,本文从稳定性和可加工性的角度全面总结了当前存在的问题及其引发机制。此外,还从方法创新的角度概述了坚固超薄锂金属阳极的最新进展,以提供全面的见解。最后,批判性地讨论了这一新兴领域所面临的挑战和发展前景,以展望未来。随着先进加工和改性技术的发展,我们相信在可预见的未来,锂金属电池的工业应用将实现真正的飞跃。
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引用次数: 0
In-plane ferroelectrics enabling reduced hysteresis in monolayer MoS2 transistors 面内铁电使单层 MoS2 晶体管中的滞后减少
Pub Date : 2024-06-17 DOI: 10.1002/cnl2.148
Mingxuan Yuan, Binbin Zhang, Jiliang Cai, Jiaqi Zhang, Yue Lu, Shuo Qiao, Kecheng Cao, Hao Deng, Qingqing Ji

Two-dimensional (2D) semiconductors, such as monolayer MoS2, has emerged as a profound material platform in the post-Moore era due to their versatile applications for high-performance transistors, memories, photodetectors, neuristors, and so on. Nevertheless, the inherent defects in these atomically thin materials have given rise to significant hysteresis in their field-effect transistors (FETs), resulting in shifted threshold voltages and elevated power consumptions not only on single-device levels but also at circuitry scales. We herein report that, by vertically integrating an in-plane ferroelectric, NbOCl2, with monolayer MoS2 FETs, the hysteresis in both the output and transfer curves of the latter can be greatly suppressed, which we attribute to compensated electromigration currents by the polarization currents of the 2D ferroelectric. This work opens a new avenue to hysteresis-free 2D transistors without necessitating defect-free channels, thus allowing for their use in high driving-voltage scenarios such as power electronics.

二维(2D)半导体,如单层 MoS2,因其在高性能晶体管、存储器、光电探测器、神经管等方面的广泛应用,已成为后摩尔时代的一个重要材料平台。然而,这些原子级薄材料的固有缺陷导致其场效应晶体管(FET)出现明显的滞后现象,不仅在单个器件层面,而且在电路层面都会造成阈值电压偏移和功耗升高。我们在此报告,通过将平面内铁电 NbOCl2 与单层 MoS2 FET 垂直集成,后者的输出和传输曲线中的滞后现象可以得到极大的抑制,我们将其归因于二维铁电的极化电流补偿了电迁移电流。这项研究为实现无滞后二维晶体管开辟了一条新的途径,无需无缺陷沟道,因此可用于电力电子器件等高驱动电压场合。
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引用次数: 0
Recycling of iron and steel slag for carbon reduction and low-environment load application 回收钢铁渣,用于减碳和低环境负荷应用
Pub Date : 2024-06-12 DOI: 10.1002/cnl2.137
Ying Xu, Enshuo Li, Chenguang Hu, Fucheng Zhang, Xianguang Meng

The high-value utilization of blast furnace slag (BFS) and steel slag (SS) as a valuable resource in the field of carbon reduction represents a green revolution, and also is an indispensable path toward breaking through resource and environmental constraints and achieving high-quality, sustainable development through solid waste utilization in the steel industry. Achieving resource recycling while harnessing the untapped latent energy of resources and exploring their carbon sequestration capabilities has become a crucial avenue for further valorization through waste utilization. BFS and SS discharged from iron-making or steel-making furnaces carry a significant amount of latent heat, especially the calcium oxide component in SS, which gives it a unique advantage in the field of comprehensive BFS and SS utilization and carbonation-based SS utilization. This article discusses the current research status of low-carbon-waste-heat utilization in the production of microcrystalline glass, cementitious materials, functional adsorbents, and other products through front-end modification of molten BFS and SS. This report also provides an overview of carbon capture by utilizing BFS and SS, offering insights into the research directions for subsequent heat recovery, online quality adjustment, high-value utilization, and carbon sequestration using BFS and SS in the steel industry.

高炉水渣(BFS)和钢渣(SS)作为一种宝贵资源,在减碳领域的高值化利用是一场绿色革命,也是钢铁行业通过固体废弃物利用突破资源和环境约束、实现高质量可持续发展的必由之路。在实现资源循环利用的同时,利用尚未开发的资源潜能,探索其碳封存能力,已成为废物利用进一步增值的重要途径。从炼铁炉或炼钢炉中排出的 BFS 和 SS 带有大量潜热,尤其是 SS 中的氧化钙成分,这使其在 BFS 和 SS 综合利用以及基于碳化的 SS 利用领域具有独特的优势。本文探讨了通过对熔融 BFS 和 SS 进行前端改性,在生产微晶玻璃、胶凝材料、功能吸附剂和其他产品过程中实现低碳废热利用的研究现状。本报告还概述了利用 BFS 和 SS 进行碳捕集的情况,为钢铁行业利用 BFS 和 SS 进行后续热回收、在线质量调整、高值利用和碳封存的研究方向提供了见解。
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引用次数: 0
Recycling of chicken feathers 回收鸡毛
Pub Date : 2024-06-11 DOI: 10.1002/cnl2.132
Guiyin Xu, Minghui Shan, Huijun Chen, Yunteng Cao, Ping Nie, Tengfei Xiang, Chenyang Dang, Myles G. Stapelberg, Dongyang Zhu, Meifang Zhu

The extensive consumption of chicken has resulted in the emergence of a significant environmental issue in the form of chicken feather waste. As such, there is an urgent need for the development of green treatment and recycling methods for chicken feathers. Chicken feathers can serve as a type of heteroatomic doping carbon source, making them an excellent candidate for the electrode materials used in electrochemical energy devices. Furthermore, their unique structures and functional groups make them highly promising for use as adsorbents, electronics, and building materials. In this paper, we provide a summary and review of recent progress made in the use of chicken feathers for energy and environmental applications. Based on the theoretical knowledge and practical applications presented in this review, promising green recycling processes of chicken feathers can be developed. These processes can help to reduce environmental pollution and promote sustainable development.

鸡肉的大量消费导致鸡毛废物这一重大环境问题的出现。因此,迫切需要开发鸡毛的绿色处理和回收方法。鸡毛可作为一种异原子掺杂碳源,是电化学能源装置电极材料的绝佳候选材料。此外,鸡毛的独特结构和功能基团也使其在吸附剂、电子器件和建筑材料方面大有可为。在本文中,我们总结和回顾了最近在利用鸡毛进行能源和环境应用方面取得的进展。基于本综述中介绍的理论知识和实际应用,可以开发出前景广阔的鸡毛绿色回收工艺。这些工艺有助于减少环境污染,促进可持续发展。
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引用次数: 0
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Carbon Neutralization
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