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Diamanes from novel graphene allotropes: Computational study on structures, stabilities and properties 来自新型石墨烯异构体的二烷:关于结构、稳定性和特性的计算研究
IF 6.2 3区 材料科学 Pub Date : 2024-02-01 DOI: 10.1016/j.flatc.2024.100622
Konstantin P. Katin , Alexey I. Podlivaev , Alexei I. Kochaev , Pavel A. Kulyamin , Yusupbek Bauetdinov , Anastasiya A. Grekova , Igor V. Bereznitskiy , Mikhail M. Maslov

We have computationally studied eight carbon monolayer materials, including the recently synthesized biphenylene, graphyne, and DHQ-graphene, as precursors of the bilayer C2H-diamanes. The interlayer C-C bonds of about 1.6 Å confirmed the strong covalent bonding between the monolayers. Density functional theory calculations revealed that the considered diamanes have a wide range of band gaps ranging from 1.5 to 4.2 eV. Diamanes, which are based on graphene allotropes, significantly expand the range of electronic and optical properties of conventional graphene derivatives and other traditional carbon materials. Tight-binding molecular dynamics simulations showed that diamanes are less stable than monolayers due to tendency of interlayer bonds tend to break. Out of the eight considered structures, only three diamonds were identified as certain stable systems suitable for processing at elevated temperatures of about 500 K. The nudged elastic band approach provided an understanding of the rate-defined thermal decomposition steps and corresponding energy barriers, which are equal to 2.79, 4.86, and 5.41 eV for the three stable diamanes. The elastic constants of the considered diamanes are comparable to those of graphene. The absorbance spectra of diamanes are calculated using linear response time-dependent density functional theory.

我们对八种碳单层材料进行了计算研究,包括最近合成的联苯、石墨烯和 DHQ 石墨烯,它们都是双层 C2H-二元胺的前体。层间约 1.6 Å 的 C-C 键证实了单层之间的强共价键。密度泛函理论计算显示,所研究的二元胺具有 1.5 至 4.2 eV 的宽带隙。基于石墨烯异构体的二元胺大大扩展了传统石墨烯衍生物和其他传统碳材料的电子和光学特性范围。紧密结合分子动力学模拟表明,由于层间键容易断裂,二元胺的稳定性不如单层。在考虑的八种结构中,只有三种菱形被确定为适合在约 500 K 的高温下加工的稳定体系。通过推移弹带方法,我们了解了热分解的速率定义步骤和相应的能量势垒,这三种稳定的二元胺的能量势垒分别为 2.79、4.86 和 5.41 eV。所考虑的二元胺的弹性常数与石墨烯的弹性常数相当。二元胺的吸光度光谱是通过线性响应时变密度泛函理论计算得出的。
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引用次数: 0
Synthetic peptide (DP1) functionalized graphene oxide: A biocompatible nanoformulation with broad-spectrum antibacterial and antibiofilm activity 合成肽(DP1)功能化氧化石墨烯:具有广谱抗菌和抗生物膜活性的生物相容性纳米制剂
IF 6.2 3区 材料科学 Pub Date : 2024-02-01 DOI: 10.1016/j.flatc.2024.100626
S. Joshi, Jatin Chadha, K. Harjai, Gaurav Verma, A. Saini
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引用次数: 0
Recent advancement in MXene based heterojunctions toward CO2 photo-reduction and H2 production applications: A review 基于 MXene 的异质结在二氧化碳光还原和 H2 生产应用方面的最新进展:综述
IF 6.2 3区 材料科学 Pub Date : 2024-01-24 DOI: 10.1016/j.flatc.2024.100620
Tuba Ashraf , Bakhat Ali , Shafaq Ashraf , Muhammad Imran , Muhammad Tahir Fazal , Javed Iqbal

Extremely efficient nanomaterials are urgently needed in the field of photocatalysis for solar energy conversion and fuel production applications. MXenes are gaining significant attention as a promising layered material for usage in energy conversion processes. Large surface area, controllable surface functionalities (–OH, –O, and –F), high electrical conductivity, and metallic active sites are the unique properties of MXenes. MXenes used as co-catalysts with other photocatalytic materials and reduce the recombination in photo generated charge carriers which further improve the efficiency of the material. This review summarizes the synthesis of MXenes, their surface modifications, heterojunction schemes and applications in photocatalytic CO2 reduction and H2 production application. Furthermore, several methods for the preparation of MXene-based nanostructures with enhanced photocatalytic activity are also discussed. Photocatalysis involves the generation of photo-generated electrons in semiconductor materials and their effective migration to MXenes for the initiation of photochemical processes at various heterojunctions. This review also explores the underlying processes and basic concepts of photocatalysis at different heterojunction configurations. Lastly, the review presents the challenges and future advancements in MXene based heterojunction for viable renewable fuels.

太阳能转换和燃料生产应用的光催化领域迫切需要极为高效的纳米材料。二氧化二烯类材料作为一种很有前途的层状材料,在能源转换过程中的应用日益受到重视。大表面积、可控的表面功能(-OH、-O 和 -F)、高导电性和金属活性位点是 MXenes 的独特性能。二氧化二烯与其他光催化材料一起用作共催化剂,可减少光产生的电荷载流子的重组,从而进一步提高材料的效率。本综述概述了 MXenes 的合成、表面改性、异质结方案以及在光催化二氧化碳还原和 H2 生产中的应用。此外,还讨论了制备具有增强光催化活性的 MXene 基纳米结构的几种方法。光催化涉及在半导体材料中产生光生电子,并将其有效迁移到 MXenes 上,从而在各种异质结上启动光化学过程。本综述还探讨了不同异质结配置下光催化的基本过程和基本概念。最后,本综述介绍了基于 MXene 的异质结在生产可行的可再生燃料方面所面临的挑战和未来的发展。
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引用次数: 0
A comprehensive review on synthesis, properties, and applications of quaternary transition metal oxychalcogenides 季态过渡金属氧钙钛矿的合成、特性和应用综述
IF 6.2 3区 材料科学 Pub Date : 2024-01-24 DOI: 10.1016/j.flatc.2024.100619
Prabhukrupa C. Kumar, Subrata Senapati, Ramakanta Naik

2D layered materials have been the center of attraction for material science researchers after the discovery of graphene. Among the various layered 2D materials, transition metal oxychalcogenide (TMOCh) materials possess a unique position due to their exciting properties and applications. Numerous reported articles are available on these materials, but we realized that a systematic classification of them, along with their general properties and applications, was missing. So, in this review, we attempted to present a systematic approach to study more about these materials conveniently. We have classified these TMOChs based on precursor materials used (i.e., quaternary or more than that) along with the transition metal, oxygen, and chalcogen (S, Se, and Te) into three categories such as TMOChs with 1. Alkaline earth metals, 2. Post transition metals, 3. Rare earth metals. Here, we consider the compounds with fixed compositions of at least one transition metal, oxygen, and chalcogen combined with any other metals from the above three categories. The detailed discussion of various synthesis routes adopted for preparing these materials is discussed thoroughly, along with their crystal structure, electronic structure, and X-ray diffraction (XRD) patterns. The next section of the review covers a broad discussion of different properties exhibited by these materials, like optoelectronic, thermoelectric, magnetic, thermal transport, nonlinear optical, semiconducting, and resistivity. Based on these fascinating properties, TMOCh materials have a wide range of applications in various fields, which are well discussed in the application segment of this review. We have tried to provide the reader with a complete understanding of these layered materials through this review, from their synthesis to applications, with the necessary description, figures, and tables to support it.

在发现石墨烯之后,二维层状材料一直是材料科学研究人员关注的焦点。在各种二维层状材料中,过渡金属氧钙钛矿(TMOCh)材料因其令人兴奋的特性和应用而占有独特的地位。关于这些材料的报道不胜枚举,但我们意识到,还缺少对这些材料的系统分类,以及它们的一般特性和应用。因此,在这篇综述中,我们试图提出一种系统的方法,以便更方便地研究这些材料。我们根据所使用的前驱体材料(即四价或四价以上)以及过渡金属、氧和瑀(S、Se 和 Te)将这些 TMOChs 分为三类,如含有 1.碱土金属、2.后过渡金属和 3.稀土金属的 TMOChs。在这里,我们考虑的是具有至少一种过渡金属、氧和钙原的固定成分,并与上述三类中的任何其他金属相结合的化合物。我们将详细讨论制备这些材料所采用的各种合成路线,以及它们的晶体结构、电子结构和 X 射线衍射 (XRD) 图样。综述的下一部分广泛讨论了这些材料表现出的不同特性,如光电、热电、磁性、热传输、非线性光学、半导体和电阻率。基于这些引人入胜的特性,TMOCh 材料在各个领域都有广泛的应用,本综述的应用部分将对此进行深入讨论。我们试图通过这篇综述,让读者对这些层状材料从合成到应用有一个全面的了解,并提供必要的说明、图和表作为支持。
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引用次数: 0
Review of zeolitic imidazolate framework/graphene oxide: A synergy of synthesis, properties and function for multifaceted applications in nanotechnology 沸石咪唑酸框架/氧化石墨烯综述:纳米技术中多方面应用的合成、特性和功能协同作用
IF 6.2 3区 材料科学 Pub Date : 2024-01-24 DOI: 10.1016/j.flatc.2024.100618
Negar Sadegh , Iman Mohammadi Dehcheshmeh , Fatemeh Sadegh

Zeolitic imidazolate framework/graphene oxide (ZIF/GO) hybrid materials are taken into consideration in the field of nanotechnology due to their intelligent integration of structure and function. This comprehensive review explores the synergistic combination of ZIFs and GO as a hybrid material, offering enhanced properties for multifaceted applications. The self-assembly of ZIFs, composed of metal ions coordinated with imidazolate linkers, provides a highly ordered porous framework, while GO, derived from oxidized graphene sheets, exhibits high surface area and mechanical strength. The integration of ZIFs and GO results in tunable porosity, improved electrical conductivity, and increased stability. This review discusses the synthesis strategies employed for fabricating ZIF/GO hybrids, such as in situ growth, solvothermal and hydrothermal methods, ultrasound, and nanopore lithography approaches. It elucidates the physical properties and chemical properties of ZIF/GO hybrids, encompassing structural characteristics, morphological features, thermal stability, electrical conductivity, electrochemical performance, and mechanical behavior. Furthermore, it explores the diverse applications of ZIF/GO hybrid materials in catalysis, energy storage, and transfer, as well as biomedical applications. The challenges and limitations associated with ZIF/GO hybrids are addressed, encompassing fabrication issues, stability concerns, selectivity optimization, and performance enhancement. This comprehensive review highlights the immense potential of ZIF/GO hybrid materials for multifaceted applications in nanotechnology, providing valuable insights for researchers and paving the way for future advancements in the field.

唑基咪唑酸框架/氧化石墨烯(ZIF/GO)混合材料因其结构和功能的智能集成而在纳米技术领域受到关注。本综述探讨了 ZIF 与 GO 作为混合材料的协同组合,为多方面的应用提供了更强的性能。ZIFs 由金属离子与咪唑链节配位而成,其自组装提供了高度有序的多孔框架,而 GO 源自氧化石墨烯片,具有高表面积和机械强度。ZIF 与 GO 的结合可实现孔隙率的可调、导电性的改善和稳定性的提高。本综述讨论了制造 ZIF/GO 混合材料所采用的合成策略,如原位生长、溶热和水热法、超声和纳米孔光刻法。报告阐明了 ZIF/GO 混合物的物理性质和化学特性,包括结构特征、形态特征、热稳定性、导电性、电化学性能和机械行为。此外,报告还探讨了 ZIF/GO 混合材料在催化、能量存储和传输以及生物医学应用方面的各种应用。书中探讨了与 ZIF/GO 混合材料相关的挑战和限制,包括制造问题、稳定性问题、选择性优化和性能提升。这篇全面的综述强调了 ZIF/GO 混合材料在纳米技术多方面应用中的巨大潜力,为研究人员提供了宝贵的见解,并为该领域的未来发展铺平了道路。
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引用次数: 0
Progress in development of MXene-based nanocomposites for supercapacitor application-A review 超级电容器用 MXene 基纳米复合材料的开发进展--综述
IF 6.2 3区 材料科学 Pub Date : 2024-01-17 DOI: 10.1016/j.flatc.2024.100609
Mohammad Shariq , Khairiah Alshehri , Souhail Mohammed Bouzgarrou , Syed Kashif Ali , Yousef Alqurashi , K.F. Hassan , R.E. Azooz

During the time of the industrial revolution, there was a growing need for energy storage composites that were dependable, high-performing and possessed qualities like flexibility, affordability, and durability. The advancements in electronics and other related technologies drove this demand. The mechanical, physical, and optical characteristics of MXene (a class of two-dimensional inorganic compounds) materials have attracted significant attention in the present century due to their suitability for manufacturing high-performance energy storage devices. MXenes significantly improve the energy storage capabilities of supercapacitors by offering shorter ion diffusion paths, excellent conductivity, and a vast surface area. The hydrophilicity of MXenes, along with their surface redox processes and metallic conductivity, plays a crucial role in enabling high-rate and high-performance pseudocapacitive energy storage materials. Throughout this overview, we have explored the process of synthesizing MXene, its unique properties, and the mechanisms of charge storage. We have thoroughly explored the latest progress and discoveries in nanocomposites based on MXene. After evaluating the potential of MXene composites for creating environmentally friendly energy storage materials with impressive performance, we discussed the future challenges and possibilities of this field.

在工业革命时期,人们对可靠、高性能、具有灵活性、经济性和耐用性的储能复合材料的需求日益增长。电子和其他相关技术的进步推动了这一需求。由于 MXene(一类二维无机化合物)材料适用于制造高性能储能设备,其机械、物理和光学特性在本世纪备受关注。MXene 材料具有更短的离子扩散路径、出色的导电性和巨大的表面积,因此能显著提高超级电容器的储能能力。MXenes 的亲水性、表面氧化还原过程和金属导电性在实现高速率和高性能伪电容储能材料方面发挥着至关重要的作用。在本综述中,我们探讨了 MXene 的合成过程、其独特性质以及电荷存储机制。我们深入探讨了基于 MXene 的纳米复合材料的最新进展和发现。在评估了 MXene 复合材料在创造性能卓越的环保型储能材料方面的潜力之后,我们讨论了这一领域未来的挑战和可能性。
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引用次数: 0
Fabrication of hyaluronic acid with graphene quantum dot as a dual drug delivery system for cancer therapy 制备透明质酸与石墨烯量子点作为癌症治疗的双重给药系统
IF 6.2 3区 材料科学 Pub Date : 2024-01-14 DOI: 10.1016/j.flatc.2024.100607
Joseph Lin , Jung-Hua Lin , Tseng-Yu Yeh , Jia-Huei Zheng , Er-Chieh Cho , Kuen-Chan Lee

With recent advancements in nanomedicine, there has been growing interest in developing drug delivery systems with multifunctional capabilities. In this study, we developed a novel dual drug delivery system by combining two drug carriers via positive and negative electrostatic interactions. First, we modified polyethyleneimine (PEI) with graphene quantum dots (GQDs) to create a positively charged particle (GPI) with high drug loading efficiency and good dispersibility. Second, we embedded the pyrenebutyric acid structure in hyaluronic acid (HA) through EDC/NHS cross-linking and used TAK-632 as the hydrophobic drug to create negatively charged particles (HANPs) with hydrogel-like properties and the CD44 receptor. After the two components were constructed, the increase in the particle charge and simultaneous delivery of both drugs synergistically enhanced the therapeutic effect of this strategy. Qualitative tests confirmed the successful synthesis of the drug carrier, while the potential of this system as a cancer treatment strategy was evaluated in HCT116 cancer cells (through MTT cell viability assays) and in vivo mice xenograft experiments. Our results demonstrated that the dual drug delivery system, HANPs(TAK)/GPI(DOX), had a significant inhibitory effect on the growth of cancer cells both in vitro and in vivo, suggesting that this system is a promising candidate for a new type of treatment.

随着近年来纳米医学的发展,人们对开发具有多功能功能的给药系统越来越感兴趣。在本研究中,我们通过正负静电相互作用将两种药物载体结合在一起,开发出了一种新型的双重给药系统。首先,我们用石墨烯量子点(GQDs)对聚乙烯亚胺(PEI)进行改性,制造出一种带正电荷的颗粒(GPI),具有较高的载药效率和良好的分散性。其次,我们通过 EDC/NHS 交联将芘丁酸结构嵌入透明质酸(HA)中,并使用 TAK-632 作为疏水性药物,制备出具有水凝胶特性和 CD44 受体的带负电颗粒(HANPs)。两种成分制成后,颗粒电荷的增加和两种药物的同时递送协同增强了这一策略的治疗效果。定性测试证实了药物载体的成功合成,同时在 HCT116 癌细胞(通过 MTT 细胞活力测定)和体内小鼠异种移植实验中评估了该系统作为癌症治疗策略的潜力。我们的研究结果表明,HANPs(TAK)/GPI(DOX)双重给药系统对体外和体内癌细胞的生长都有显著的抑制作用,这表明该系统有望成为一种新型治疗方法。
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引用次数: 0
Controlled doping rates of graphene oxide in aluminum for high electrical performance and oxygen reduction reaction 控制氧化石墨烯在铝中的掺杂率,实现高电气性能和氧还原反应
IF 6.2 3区 材料科学 Pub Date : 2024-01-13 DOI: 10.1016/j.flatc.2024.100608
Jin Young Oh , Bo-Kyeong Choi , Dong Wook Lee , Liu Yang , Dae-Shik Seo

The brush coating method allows the advantage of being able to produce thin films simply and quickly. This study introduces a method for thin-film production by brushing a solution containing graphene doped in Al2O3 using the sol–gel method. Graphene oxide (GO) is suitable for semiconductors with bandgap values of about 1.7 eV at room temperature, and the characteristics of the thin films were analyzed according to the doping ratio. First, X-ray photoelectron spectroscopy measurements were obtained to analyze the chemical composition of the thin-film surface. Since graphene is a carbon isomer, the characteristic of oxygen vacancies was confirmed by the increasing C–C bond intensity with increasing GO doping concentration. In addition, Raman analysis was performed to analyze the concentration of molecular groups of compounds for defects in graphene. Thereafter, through atomic force microscopy measurements, as the graphene doping ratio increased, the average roughness increased from 1.785 to 33.67, the residual DC voltage also increased by about 48.42 %, and the polar anchoring energy also increased by about 16.33 %. In addition, response-time–transmittance measurements were performed to measure the electro-optical properties of the thin film, and excellent Vth and stable response speed were obtained. Additionally, the validity of the results was supported through bandgap analysis. Finally, the degree of alignment of liquid–crystal molecules on the film surface was confirmed by polarized optical microscopy and pretilt angle measurements, and the suitability of the thin film for display devices was shown via transmittance measurements. As a result, GO:Al2O3 hybrid thin film is an excellent candidate for use as an alignment film for solar energy, secondary batteries, and next-generation liquid crystal displays.

刷涂法的优点是能够简单快速地生产薄膜。本研究介绍了一种利用溶胶-凝胶法,通过刷涂含有掺杂在 Al2O3 中的石墨烯的溶液来生产薄膜的方法。氧化石墨烯(GO)适用于室温下带隙值约为 1.7 eV 的半导体,根据掺杂比例分析了薄膜的特性。首先,通过 X 射线光电子能谱测量来分析薄膜表面的化学成分。由于石墨烯是一种碳异构体,随着 GO 掺杂浓度的增加,C-C 键强度也在增加,这证实了氧空位的特征。此外,还进行了拉曼分析,以分析石墨烯中存在缺陷的化合物分子团的浓度。之后,通过原子力显微镜测量,随着石墨烯掺杂率的增加,平均粗糙度从 1.785 增加到 33.67,残余直流电压也增加了约 48.42%,极性锚定能也增加了约 16.33%。此外,还进行了响应时间-透射率测量,以测量薄膜的电光特性,结果表明薄膜具有优异的 Vth 值和稳定的响应速度。此外,带隙分析也证明了结果的正确性。最后,通过偏振光学显微镜和前倾角测量确认了薄膜表面液晶分子的排列程度,并通过透射率测量证明了薄膜适用于显示器件。因此,GO:Al2O3 混合薄膜是太阳能、二次电池和下一代液晶显示器对准薄膜的理想候选材料。
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引用次数: 0
Electroanalytical application of phenol-functionalized reduced graphene oxide produced using gallic acid in a single step 利用没食子酸一步制得的苯酚功能化还原氧化石墨烯的电分析应用
IF 6.2 3区 材料科学 Pub Date : 2024-01-09 DOI: 10.1016/j.flatc.2023.100605
Mónica Moreno, Alberto Sánchez Arribas, Silvia Royano, Yaiza Izquierdo, Manuel Chicharro

This study introduces a simple one-step approach for synthesizing phenol-functionalized reduced graphene oxide for electroanalytical purposes, just using gallic acid (GA) and graphene oxide (GO). GA serves as both a reductant for GO and a stabilizing, functionalizing agent, introducing phenolic groups to the nanomaterial. This functionalization imparts remarkable attributes to the nanomaterial, allowing complete dispersion in aqueous solutions and tuning of its electrochemical performance, making it very convenient for electrode modification. The resulting nanomaterials (GA-rGO) underwent characterization through UV–visible, Fourier-transform infrared (FTIR), and Raman spectroscopies, as well as scanning electron microscopy (SEM). Glassy carbon electrodes modified with aqueous dispersions of these nanomaterials (GA-rGO/GCE) were employed in voltammetric experiments to evaluate the optimal dispersion composition for electroanalytical application.

These GA-rGO/GCE displayed high electrocatalytic activity for the electrochemical oxidation of relevant clinical and environmental analytes. The unique functionalization of GA-rGO facilitated the selective accumulation of dopamine (DA) and uric acid (UA) on the electrode surface, even in the presence of significant amounts of ascorbic acid (AA) in mixtures. Under the specified conditions, voltammetric currents display linear increments over the concentration ranges of 3.0 x 10-7 M to 2.0 x 10-5 M for DA and 7.0 x 10-6 M to 1.0 x 10-4 M for UA. The sensor demonstrated a low detection limit of 0.090 and 2.1 μM for DA and UA, respectively. The reliability of the electroanalytical performance of the proposed sensor in real samples was demonstrated by the quantification of DA in medications, as well as DA and UA in human urine samples, yielding recovery values between 82 % and 105 %, with relative standard deviation below 11 %.

本研究介绍了一种简单的一步法合成苯酚官能化还原氧化石墨烯用于电分析的方法,只需使用没食子酸(GA)和氧化石墨烯(GO)。没食子酸既是 GO 的还原剂,也是一种稳定剂和功能化剂,可为纳米材料引入酚基。这种功能化赋予了纳米材料显著的特性,使其能够完全分散在水溶液中,并调整其电化学性能,从而非常便于电极改性。通过紫外-可见光谱、傅立叶变换红外光谱(FTIR)、拉曼光谱以及扫描电子显微镜(SEM)对所制备的纳米材料(GA-rGO)进行了表征。在伏安实验中使用了用这些纳米材料的水分散液修饰的玻璃碳电极(GA-rGO/GCE),以评估电分析应用的最佳分散液组成。GA-rGO 的独特功能化促进了多巴胺(DA)和尿酸(UA)在电极表面的选择性积累,即使在混合物中存在大量抗坏血酸(AA)的情况下也是如此。在特定条件下,DA 的伏安电流在 3.0 x 10-7 M 至 2.0 x 10-5 M 和 UA 的 7.0 x 10-6 M 至 1.0 x 10-4 M 的浓度范围内呈线性递增。该传感器对 DA 和 UA 的检测限分别为 0.090 μM 和 2.1 μM。通过对药物中的 DA 以及人体尿样中的 DA 和 UA 进行定量,证明了该传感器在实际样品中的电分析性能非常可靠,其回收率在 82 % 到 105 % 之间,相对标准偏差低于 11 %。
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引用次数: 0
Maximizing urea-/hydrazine-assisted electrolytic hydrogen production by defective nickel copper selenide nanostructures 利用有缺陷的硒化镍铜纳米结构最大限度地提高脲/肼辅助电解制氢能力
IF 6.2 3区 材料科学 Pub Date : 2024-01-01 DOI: 10.1016/j.flatc.2023.100602
Diab Khalafallah , Yunxiang Zhang , Qinfang Zhang

Replacing the formidable oxygen evolution reaction (OER) with other oxidizable species is an appealing approach to attain highly efficient hydrogen (H2) generation with a lower potential. Accordingly, the kinetically favorable electrooxidation reaction of urea or hydrazine molecule can increase the return on energy profiteering and prevent pollutant emission. Thus, opening up an innovative direction to replace the sluggish OER and generate high-purity H2 gas via an energy-saving approach. Thus, constructing highly efficient and stable bifunctional electrodes/electrocatalysts is a key to realize economical and sustainable H2 production. In this work, we developed defect-enriched two-dimensional (2D) heterogeneous nickel copper selenide (D/Ni-Cu-Se) on a conductive Ni foam (NF) scaffold as an integrated bifunctional electrocatalytic electrode for energy-saving for H2 production. The self-supported D/Ni-Cu-Se/NF electrode with a regulated interfacial property and abundant metal defects is fabricated through a hydrothermal approach and a metal-defect engineering route. The thus-prepared electrode exhibits a high electrocatalytic performance for both hydrogen evolution reaction (HER) and urea oxidation reaction (UOR) in a 1.0 M KOH electrolyte, achieving the catalytic current density of 10 mA cm−2 at a potential of 87.7 mV and 1.335 V vs. RHE, respectively. In relation, the two-electrode urea-water electrolyzer and hydrazine-water electrolyzer utilizing the bifunctional D/Ni-Cu-Se/NF as both the cathode and anode electrodes reveal a cell voltage of ∼ 1.395 V and 0.268 V at 10 mA cm−2 in 1.0 M KOH/0.33 M urea and 1.0 M KOH/0.25 M hydrazine, respectively, which is much less than that of conventional water electrolysis (1.572 V). The implemented electrolyzer systems consequently endow high long-term durability over 48 h of continuous electrolysis, indicating that the defect-rich D/Ni-Cu-Se/NF can serve as a potential bifunctional electrocatalyst with an outstanding electrolysis performance and excellent stability for H2 generation. Indeed, such a novel bifunctional electrode configuration and corresponding electrolysis performances are much desired for energy-saving electrolytic H2 production and pave the way for exploring highly efficient and robust electrodes.

用其他可氧化物代替可怕的氧进化反应(OER),是以较低电位实现高效制氢(H2)的一种有吸引力的方法。因此,尿素或联氨分子的电氧化反应在动力学上是有利的,可以增加能源利润回报,防止污染物排放。因此,通过节能方法取代缓慢的 OER 并生成高纯度 H2 气体开辟了一个创新方向。因此,构建高效稳定的双功能电极/电催化剂是实现经济、可持续的 H2 生产的关键。在这项工作中,我们在导电泡沫镍(NF)支架上开发了富集缺陷的二维(2D)异质硒化铜镍(D/Ni-Cu-Se),作为一种集成的双功能电催化电极,用于节能型 H2 生产。这种自支撑 D/Ni-Cu-Se/NF 电极具有可调节的界面特性和丰富的金属缺陷,是通过水热法和金属缺陷工程路线制备的。制备的电极在 1.0 M KOH 电解液中对氢进化反应和脲氧化反应均表现出较高的电催化性能,在 87.7 mV 和 1.335 V 电位下对 RHE 的催化电流密度分别达到 10 mA cm-2。而利用双功能 D/Ni-Cu-Se/NF 作为阴极和阳极电极的双电极尿素-水电解槽和肼-水电解槽,在 1.0 M KOH/0.33 M 尿素和 1.0 M KOH/0.25 M 肼中,10 mA cm-2 时的电池电压分别为 1.395 V 和 0.268 V,远低于传统水电解的电压(1.572 V)。因此,所实现的电解槽系统在 48 小时的连续电解过程中具有较高的长期耐久性,这表明富含缺陷的 D/Ni-Cu-Se/NF 可作为一种潜在的双功能电催化剂,具有出色的电解性能和卓越的稳定性,可用于产生 H2。事实上,这种新型的双功能电极构型和相应的电解性能是节能型电解法生产 H2 所亟需的,同时也为探索高效、坚固的电极铺平了道路。
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