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High-throughput theoretical exploration of multifunctional planar MBenes: Magnetism, topology, superconductivity, and anode applications
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作者 Xiaodong Lv Ting Han +3 位作者 Rong Liu Fengyu Li Jian Gong Zhongfang Chen 《Advanced Powder Materials》 2025年第3期78-89,共12页
Pursuing new two-dimensional(2D)materials has been a hot topic in materials science,driven by their potential for diverse applications.Recent research has unveiled stable planar hypercoordinate motifs with unconventio... Pursuing new two-dimensional(2D)materials has been a hot topic in materials science,driven by their potential for diverse applications.Recent research has unveiled stable planar hypercoordinate motifs with unconventional geometric arrangements and bonding patterns that facilitate the synthesis of new 2D materials with diverse applications.Among these,yet the design of 2D transition metal systems featuring planar pentacoordinate boron(ppB)is particularly intriguing.Here we address this gap by proposing a novel family of transition metal boride monolayers(MBenes)composed of ppB and heptacoordinate M motifs.The novelty of our MBenes stems from their distinct atomic arrangements and bonding configurations,setting them apart from traditional 2D materials.High-throughput calculations identified 10 stable MBenes(with the stoichiometry of MB,M=Cr,Fe,Co,Ni,Cu,Mo,Pd,Ag,Pt,Au)with exceptional thermodynamic,dynamic,thermal,and mechanical stabilities attributed to strong BB covalent bonds and MB ionic interactions.Notably,five of these MBenes(M=Ni,Pd,Pt,Ag,Au)hold high promise as topological superconducting materials with superconducting transition temperatures of 2.4-5.2 K.This discovery not only enriches the family of topological superconducting materials but also opens new avenues for quantum device development.Meanwhile,FeB monolayer exhibits robust ferromagnetic properties with a high Curie temperature of~750 K,which is particularly significant for spintronics applications.In addition,NiB and CuB MBenes demonstrate extremely low sodium diffusion barriers(about 30 and 90 meV)and high sodium storage capacities(788 and 734 mAh g1,respectively),making them promising anode materials for sodium-ion batteries(SIBs).This study expands the selection of electrode materials for SIBs and mitigates some existing limitations in battery technology.Overall,these findings underscore the multifunctional potential of MBenes,positioning them as transformative materials for quantum computing,spintronics,and energy storage applications. 展开更多
关键词 mbenes Planar pentacoordinate boron Stability FERROMAGNETIC Topological superconducting Anode materials
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Rapid synthesis of two-dimensional MoB MBene anodes for high-performance sodium-ion batteries
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作者 Wei Xiong Xingyu Feng +6 位作者 Tao Huang Zhencheng Huang Xuanlong He Jianhong Liu Yi Xiao Xinzhong Wang Qianling Zhang 《Journal of Materials Science & Technology》 2025年第9期67-76,共10页
Two-dimensional(2D)transition metal borides(MBenes)have emerged as a rising star and hold great potential promise for catalysis and metal ion batteries owing to a well-defined layered structure and ex-cellent electric... Two-dimensional(2D)transition metal borides(MBenes)have emerged as a rising star and hold great potential promise for catalysis and metal ion batteries owing to a well-defined layered structure and ex-cellent electrical conductivity.Unlike well-studied graphene,perovskite and MXene materials in various fields,the research about MBene is still in its infancy.The inadequate exploration of efficient etching methods impedes their further study.Herein,we put forward an efficient microwave-assisted hydrother-mal alkaline solution etching strategy for exfoliating MoAlB MAB phase into 2D MoB MBenes with a well accordion-like structure,which displays a remarkable electrochemical performance in sodium ion batter-ies(SIBs)with a reversible specific capacity of 196.5 mAh g^(-1)at the current density of 50 mA g^(-1),and 138.6 mAh g^(-1)after 500 cycles at the current density of 0.5 A g^(-1).The underlying mechanism toward excellent electrochemical performance are revealed by comprehensive theoretical simulations.This work proves that MBene is a competitive candidate as the next generation anode of sodium ion batteries. 展开更多
关键词 mbene MAB phase Metal boride MoB Microwave-assisted hydrothermal Sodium-ion batteries
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新型二维材料MXene及MBene合成的研究进展 被引量:2
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作者 李能 曾宪兵 +1 位作者 陈怡君 吴婧 《武汉工程大学学报》 CAS 2023年第1期15-24,共10页
科研人员不断在探索关于MXene和MBene材料的合成方法,相继提出了合成MXene更加可靠、安全、绿色的方法,并开创了使用有机溶剂制备MXene的制备方式,但是,关于MBene实验合成的报道少有,根据第一性原理的计算结果已经表明化学方法刻蚀的可... 科研人员不断在探索关于MXene和MBene材料的合成方法,相继提出了合成MXene更加可靠、安全、绿色的方法,并开创了使用有机溶剂制备MXene的制备方式,但是,关于MBene实验合成的报道少有,根据第一性原理的计算结果已经表明化学方法刻蚀的可行性。综述了近几年来二维过渡金属MXene和MBene合成的研究进展,对不同元素的二维过渡金属MXene介绍了与其相适应的合成方法,也对插层剥离进行了简单的介绍;对于未来MXene及MBene的合成和应用发展提出了展望。认为合成结构优异稳定的MXene及MBene是将其发展为应用的前提;相信随着研究的深入和合成技术在材料研究领域的快速发展,更多具有良好稳定性的MXene及MBene将会被设计和合成出来,二维材料家族将会进一步得到发展。 展开更多
关键词 二维材料 MXene mbene 环境与能源材料 合成
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First demonstration of possible two-dimensional MBene CrB derived from MAB phase Cr_2AlB_2 被引量:9
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作者 Haiming Zhang Huimin Xiang +2 位作者 Fu-zhi Dai Zhili Zhang Yanchun Zhou 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2018年第11期2022-2026,共5页
In this communication, the possibility for the preparation of two-dimensional MBene CrB from MAB phase Cr2AlB2 is demonstrated for the first time. Herein M is a transition metal, A is a group IIIAor IVA element and B ... In this communication, the possibility for the preparation of two-dimensional MBene CrB from MAB phase Cr2AlB2 is demonstrated for the first time. Herein M is a transition metal, A is a group IIIAor IVA element and B is boron; MAB phases are layered transition metal ternary borides, MBene is used to emphasize the loss of A group element from the parent MAB phases and to highlight the 2 D nature. The possible 2 D CrB nano sheets are prepared by selectively etching out Al layers from Cr2AlB-2 by immersing the Cr2AlB2 powders in dilute HCl solution at room temperature. The as-prepared 2 D CrB nano sheets are examined using X-ray diffraction and scanning electron microscopy and energy dispersive X-ray spectroscopy(EDS). In addition, different structure models are built to explain the observed phenomena.The discovery in this work opens a door to the synthesis of a large number of new 2 D MBenes from MAB phases. 展开更多
关键词 2D CrB nano sheets mbene MAB phases EXFOLIATION Transition metal borides
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A Rising 2D Star:Novel MBenes with Excellent Performance in Energy Conversion and Storage 被引量:2
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作者 Tianjie Xu Yuhua Wang +3 位作者 Zuzhao Xiong Yitong Wang Yujin Zhou Xifei Li 《Nano-Micro Letters》 SCIE EI CAS CSCD 2023年第1期94-143,共50页
As a flourishing member of the two-dimen-sional(2D)nanomaterial family,MXenes have shown great potential in various research areas.In recent years,the continued growth of interest in MXene derivatives,2D transition me... As a flourishing member of the two-dimen-sional(2D)nanomaterial family,MXenes have shown great potential in various research areas.In recent years,the continued growth of interest in MXene derivatives,2D transition metal borides(MBenes),has contributed to the emergence of this 2D material as a latecomer.Due to the excellent electrical conductivity,mechanical properties and electrical properties,thus MBenes attract more researchers’interest.Extensive experimental and theoretical studies have shown that they have exciting energy conversion and elec-trochemical storage potential.However,a comprehensive and systematic review of MBenes applications has not been available so far.For this reason,we present a comprehen-sive summary of recent advances in MBenes research.We started by summarizing the latest fabrication routes and excellent properties of MBenes.The focus will then turn to their exciting potential for energy storage and conversion.Finally,a brief summary of the challenges and opportunities for MBenes in future practical applications is presented. 展开更多
关键词 mbenes Energy storage and conversion CATALYST Anode material Machine learning
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氢氟酸法合成Mo_(2)Al_(1-x)B_(2)(MBene)及电化学性能研究 被引量:1
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作者 陈逸钊 茅婷婷 +2 位作者 崔帅甫 廖松义 闵永刚 《功能材料》 CAS CSCD 北大核心 2024年第8期8135-8142,共8页
由块状三元金属硼化物(MAB相)制备的MBene作为一种新型的二维材料,其大规模发展受到了越来越多的关注,但其制备策略受到了限制。工作详细探索了采用氢氟酸法从MoAlB中刻蚀Al层的最佳制备工艺条件,并成功合成了具有典型手风琴结构的Mo_(2... 由块状三元金属硼化物(MAB相)制备的MBene作为一种新型的二维材料,其大规模发展受到了越来越多的关注,但其制备策略受到了限制。工作详细探索了采用氢氟酸法从MoAlB中刻蚀Al层的最佳制备工艺条件,并成功合成了具有典型手风琴结构的Mo_(2)Al_(1-x)B_(2)(MBene)二维材料。此外,使用X射线衍射仪和XPS详细分析了MBene晶体结构和表面化学状态。扫描电子显微镜结合能谱仪分析了MBene的微观形态。结果表明,在60℃下刻蚀72 h(简称60-72 h)合成的MBene具有清晰手风琴层状结构特征。当用作LIBs阳极时,60~72 h样品具有出色的电化学性能,在1 A/g电流密度下循环500次后的可逆比容量为228.0 mAh/g。其优异的电化学性能主要归因于二维MBene良好的导电性及快速锂离子扩散通道,由此而带来高的赝电容效应,即在2 mV s^(-1)扫描速率下,赝电容贡献达到~86.7%。 展开更多
关键词 Mo_(2)Al_(1-x)B_(2)(mbene) 氢氟酸法 刻蚀 锂离子电池 负极材料
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MBenes:Two-dimensional transition-metal borides with ordered metal vacancies
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作者 Hui Yang Liang Chu 《Chinese Chemical Letters》 SCIE CAS CSCD 2023年第1期3-4,共2页
2D MBenes have been theoretically predicted to possess unique electronic structures and physicochemical properties,and thus shown great promise in various applications.However,the synthesis of individual single-layer ... 2D MBenes have been theoretically predicted to possess unique electronic structures and physicochemical properties,and thus shown great promise in various applications.However,the synthesis of individual single-layer MBene remains a grand challenge due to its orthorhombic structure of MAB phases.Recently,scientists from Link?ping University have fabricated 2D monolayer Mo4/3B2-xTzwith ordered metal vacancies.Their results demonstrated the feasibility of top-down approach by chemical exfoliation of laminated compounds and provided the principle for further preparation of a wealth of MBenes. 展开更多
关键词 Transition-metal borides i-MAB phases mbenes MONOLAYER Ordered metal vacancies
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Nitric oxide assists nitrogen reduction reaction on 2D MBene: A theoretical study
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作者 Chaozheng He Jia Wang +1 位作者 Ling Fu Wei Wei 《Chinese Chemical Letters》 SCIE CAS CSCD 2024年第5期428-433,共6页
Electrocatalytic synthesis of ammonia as an environment-friendly and sustainable development method has received widespread attention in recent years.Two-dimensional(2D)materials are a promising catalyst for ammonia s... Electrocatalytic synthesis of ammonia as an environment-friendly and sustainable development method has received widespread attention in recent years.Two-dimensional(2D)materials are a promising catalyst for ammonia synthesis due to their large surface area.In this work,we have constructed a series of 2D metal borides(MBenes)with transition metal(TM)defects(TMd-MBenes)and comprehensively calculated the reactivity of electrocatalytic synthesis of ammonia-based on density functional theory.The results have demonstrated that the TMd-MBenes can effectively activate nitrogen oxide(NO)and nitrogen(N2)molecules thermodynamically.Particularly interesting,the co-chemisorption of O atoms,dissociated from NO,can facilitate the spilled of the inert N2 molecules into single N atoms,which can further hydrogenate into ammonia easily with an ultralow limiting potential of 0.59 V on TMd-MnB.Our research has not only provided clues for catalyst design for experimental study but also paved the way for the industrial application of electrocatalytic ammonia synthesis. 展开更多
关键词 2D mbenes Nitrogen electro-reduction DFT N_(2)activation Ammonia synthesis
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Mo_(2)B_(2)O_(2) MBene for Efficient Electrochemical CO Reduction to C_(2) Chemicals:Computational Exploration
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作者 Bikun Zhang Jianwen Jiang 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第6期342-350,共9页
Emerging as a new class of two-dimensional materials with atomically thin layers,MBenes have great potential for many important applications such as energy storage and electrocatalysis.Toward mitigating carbon footpri... Emerging as a new class of two-dimensional materials with atomically thin layers,MBenes have great potential for many important applications such as energy storage and electrocatalysis.Toward mitigating carbon footprint,there has been increasing interest in CO_(2)/CO conversion on MBenes,but mostly focused on C_(1) products.C^(2+) chemicals generally possess higher energy densities and wider applications than C_(1) counterparts.However,C–C coupling is technically challenging because of high energy requirement and currently few catalysts are suited for this process.Here,we explore electrochemical CO reduction reaction to C_(2) chemicals on Mo_(2)B_(2)O_(2) MBene via density-functional theory calculations.Remarkably,the most favorable CO–COH coupling is revealed to be a spontaneous and barrierless process,making Mo_(2)B_(2)O_(2) an efficient catalyst for C–C coupling.Among C_(1) and C_(2) chemicals,ethanol is predicted to be the primary product.Furthermore,by charge and bond analysis,it is unraveled that there exist significantly more unbonded electrons in the C atom of intermediate*COH than other C_(1) intermediates,which is responsible for the facile C–C coupling.From an atomic scale,this work provides microscopic insight into C–C coupling process and suggests Mo_(2)B_(2)O_(2) a promising catalyst for electrochemical CO reduction to C_(2) chemicals. 展开更多
关键词 C_(2) chemicals C-C coupling density-functional theory mbene Mo2B2O2
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Advancing Energy Development with MBene: Chemical Mechanism, AI, and Applications in Energy Storage and Harvesting
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作者 Jai Kumar Nadeem Hussain Solangi +5 位作者 Rana R.Neiber Fangyuan Bai Victor Charles Pengfei Zhai Zhuanpei Wang Xiaowei Yang 《Nano-Micro Letters》 2026年第3期569-629,共61页
MXene derivatives are notable two-dimensional nanomaterials with numerous prospective applications in the domains of energy development.MXene derivative,MBene,diversifies its focus on energy storage and harvesting due... MXene derivatives are notable two-dimensional nanomaterials with numerous prospective applications in the domains of energy development.MXene derivative,MBene,diversifies its focus on energy storage and harvesting due to its exceptional electrical conductivity,structural flexibility,and mechanical properties.This comprehensive review describes the sandwich-like structure of the synthesized MBene,derived from its multilayered parent material and its distinct chemical framework to date.The fields of focus encompass the investigation of novel MBenes,the study of phase-changing mechanisms,and the examination of hex-MBenes,ortho-MBenes,tetra-MBenes,tri-MBenes,and MXenes with identical transition metal components.A critical analysis is also provided on the electrochemical mechanism and performance of MBene in energy storage(Li/Na/Mg/Ca/Li–S batteries and supercapacitors),as well as conversion and harvesting(CO_(2) reduction,and nitrogen reduction reactions).The persistent difficulties associated with conducting experimental synthesis and establishing artificial intelligence-based forecasts are extensively deliberated alongside the potential and forthcoming prospects of MBenes.This review provides a single platform for an overview of the MBene’s potential in energy storage and harvesting. 展开更多
关键词 mbene MXene Energy storage CO_(2)reduction Nitrogen reduction reactions Artificial intelligence
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长安大学科研团队为高效可持续的水处理技术提供新方案
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作者 孙颖璐(整理) 《陕西教育(高教版)》 2025年第11期9-9,共1页
据长安大学网站消息,近日,长安大学材料学院颜录科教授团队在化学与材料领域国际著名顶级期刊《先进功能材料》(Advanced Functional Materials,IF:18.5)上发表题为“Synergistic Photothermal-Photocatalytic Accordionlike Mo_(2)AlB_... 据长安大学网站消息,近日,长安大学材料学院颜录科教授团队在化学与材料领域国际著名顶级期刊《先进功能材料》(Advanced Functional Materials,IF:18.5)上发表题为“Synergistic Photothermal-Photocatalytic Accordionlike Mo_(2)AlB_(2) MBene Membrane for High-Efficiency Solar-Powered Water Remediation”的研究论文。颜录科教授和陈曦博士为论文通讯作者,2023级硕士研究生赵瑞琪为第一作者,长安大学为第一署名单位。研究团队创新性地将手风琴状Mo_(2)AlB_(2) MBene材料与聚乙烯醇(PVA)、间位四(4-羧基苯基)卟啉(TCPP)复合,构建具有交联结构MPTM膜,实现了太阳能捕获与催化降解功能的协同整合。 展开更多
关键词 Mo₂AlB₂ 长安大学 mbene 聚乙烯醇 先进功能材料
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Associative vs. dissociative mechanism: Electrocatalysis of nitric oxide to ammonia 被引量:3
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作者 Chaozheng He Jia Wang +2 位作者 Ling Fu Chenxu Zhao Jinrong Huo 《Chinese Chemical Letters》 SCIE CAS CSCD 2022年第2期1051-1057,共7页
Nitric oxide reduction to ammonia by electrocatalysis is the potential application in the elimination of smog and energy conversion. In this work, the feasibility of the application of two-dimensional metal borides(MB... Nitric oxide reduction to ammonia by electrocatalysis is the potential application in the elimination of smog and energy conversion. In this work, the feasibility of the application of two-dimensional metal borides(MBenes) in nitric oxide electroreduction reaction(NOER) was investigated through density functional theory calculations. Including the geometry and electronic structure of five kinds of MBenes, the adsorption of NO on the surface of these substrates, the selective adsorption of hydrogen protons during the hydrogenation process, and the overpotential in the electrocatalytic ammonia synthesis process. As a result, Mn B exhibited the most favorable catalytic performance according to the associative pathways,which is thermodynamically performed spontaneously, and WB has a minimum overpotential of 0.37 V vs. RHE in the process of ammonia production according to the dissociative pathway. Overall, our work is the first to explore the electrocatalytic NO through the dissociative mechanism to synthesize ammonia in-depth and proves that MBenes are efficient NO electrocatalytic ammonia synthesis catalysts. These research results provide a new direction for the development of electrocatalytic ammonia synthesis experimentally and theoretically. 展开更多
关键词 mbenes Nitric oxide NOER First-principles calculation AMMONIA
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二维过渡金属硼化物的研究进展
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作者 徐晓沐 贾晓莹 曹龙海 《化学与粘合》 2025年第2期209-214,共6页
二维过渡金属硼化物(MBenes)作为一种新兴的二维材料,因其独特的物理和化学特性,显示出在电化学、能源存储及生物技术等多个领域的广泛应用潜力。系统综述了MBenes的主要制备方法及其电化学性能,重点分析了其在储能器件和电催化反应(如... 二维过渡金属硼化物(MBenes)作为一种新兴的二维材料,因其独特的物理和化学特性,显示出在电化学、能源存储及生物技术等多个领域的广泛应用潜力。系统综述了MBenes的主要制备方法及其电化学性能,重点分析了其在储能器件和电催化反应(如析氢反应、析氧反应、氮还原反应、二氧化碳还原反应等)中的实际应用。此外,还探讨了MBenes在生物传感和药物递送等生物技术领域的潜在应用前景。凭借其优异的导电性和结构优势,MBenes正逐渐成为多个前沿研究领域的热点材料。 展开更多
关键词 二维过渡金属硼化物 HER NRR 电催化 生物技术
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Deintercalation of Al from MoAlB by molten salt etching to achieve a Mo_(2)AlB_(2) compound and 2D MoB nanosheets 被引量:3
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作者 Junji Mou Shibo Li +3 位作者 Weiwei Zhang Weimin Xu Shukai Fan Guoping Bei 《Journal of Advanced Ceramics》 SCIE EI CAS CSCD 2023年第5期943-953,共11页
Two-dimensional(2D)MoB metal borides(MoB MBene)have attracted much attention due to their fascinating properties and functional applications.So far,work on the synthesis of 2D MoB nanosheets by acid or alkaline etchin... Two-dimensional(2D)MoB metal borides(MoB MBene)have attracted much attention due to their fascinating properties and functional applications.So far,work on the synthesis of 2D MoB nanosheets by acid or alkaline etching of MoAlB has not been very successful.It has been proposed that the 2D MoB MBene may be fabricated by chemical etching of a Mo_(2)AlB_(2) precursor,but further investigations were not performed possibly due to the difficult preparation of the metastable Mo_(2)AlB_(2) compound at high temperatures by solid-state reactions.Here,we report on the successful synthesis of the Mo_(2)AlB_(2) compound and 2D MoB nanosheets by the deintercalation of Al from MoAlB through a ZnCl_(2) molten salt etching approach at relatively low temperatures.The influence of etching temperature,etching time,and starting mixtures on the formation of desirable phases have been investigated.A pure Mo_(2)AlB_(2) compound was synthesized at temperatures below 600℃,while the 2D MoB MBene nanosheets were obtained at 700℃through the molten salt etching of MoAlB.In addition,the present work further confirms that the MoB MBene can be prepared by etching the as-synthesized Mo_(2)AlB_(2) precursor in LiF–HCl solution.Our work demonstrates that the molten salt etching is an effective method to prepare 2D MoB MBene. 展开更多
关键词 two-dimensional(2D)materials Mo_(2)AlB_(2) MoB metal borides(MoB mbene) molten salt etching microstructure
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