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Porous carbon coupled with an interlaced MoP–MoS2 heterojunction hybrid for efficient hydrogen evolution reaction

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Journal of Energy Chemistry 2020年第6期29卷 45-51,I0003页

作者： Qiusheng Zhou jianrui feng Xinwen Peng Linxin Zhong Runcang Sun State Key Laboratory of Pulp and Paper Engineering South China University of TechnologyGuangzhou 510640GuangdongChina College of Chemistry Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education)Nankai UniversityTianjin 300071China Center for Lignocellulose Science and Engineering and Liaoning Key Laboratory Pulp and Paper EngineeringDalian Polytechnic UniversityDalian 116034LiaoningChina

The design and development of electrocatalysts composed of non-noble-metal catalysts with both large surface area and high electrical conductivities are crucial for the hydrogen evolution reaction(HER).Here,a xylose-based porous carbon is coupled with a MoS2-Mo P heterojunction(MoS2-Mo P/FPC)hybrid and used as a promising catalyst for *** hybrid is prepared by immobilizing petal-like MoS2 nanosheets on porous carbon(MoS2/FPC),followed by controlling the phosphidation in Ar/H2 to form MoS2-Mo P/*** phosphorus provides the P species that can induce the construction of the heterojunction under the reducing atmosphere,along with the generation of a Mo P phase and the splitting of the MoS2 *** as-prepared MoS2-Mo P/FPC catalyst offers a low overpotential of 144 mV at a current density of 10 m A cm^-2 and a small Tafel slope of 41 m V dec^-1 for the HER in acidic media,as well as remarkable *** from the active nature of the hybrid,its outstanding activity is attributed to the MoS2-Mo P heterojunction,and the good charge/mass-transfer ability of porous *** strategy provides a new method to develop and design low-cost and high-performance catalysts for the HER.

关键词： MoS2 Heterojunction Carbon Electrocatalyst

First-principle calculation of distorted T-carbon as a promising anode for Li-ion batteries with enhanced capacity, reversibility, and ion migration properties

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Carbon Energy 2020年第4期2卷 614-623页

作者： jianrui feng Chao Yang Lijie Zhang Feili Lai Lei Du Xiaohua Yang Institut National de la Recherche Scientifique-Énergie Matériaux et Télécommunications VarennesQuebecCanada Department of Chemistry Zhejiang UniversityHangzhouChina School of Science Westlake UniversityHangzhouChina Institute of Material Science and Technologies Technical University BerlinBerlinGermany Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics and Devices School of Physics and ElectronicsHunan UniversityChangshaChina Department of Chemistry Katholieke Universiteit LeuvenLeuvenBelgium

Carbon group element-based materials are the most widely used anode materials for Li-ion batteries(LIBs).However,their performance is limited by the low capacity(eg,graphite)or high-volume changes(eg,Si and Sn).Therefore,exploring high-performance anode materials is quite appealing and *** first-principle calculations in this study,we found that distorted T-carbon(DTC)as a desired LIB anode shows properties of the enhanced capacity,decreased volume change,and the increased ion *** origin of such improved properties is attributed to the interconnected tunnels and large cavities of the carbon *** theoretical specific capacity of DTC is found to be 558 mAh/g,which is 1.5 times higher than that of commercial graphite ***,the volume change of the DTC anode is only 3%at the full-lithiation state(one-fifth of that of the commercial graphite anode),which can overcome the pulverization problem in most high-capacity anode materials and attain a longer cycling *** transition state calculations and molecular dynamics simulations demonstrate that the Li-ion migration barrier is less than 0.1 eV and the Li-ion vacancy is only 0.2 eV,enabling its promising rate *** study provides a new and effective strategy to improve the anode properties of LIBs.

关键词： density functional theory Li-ion batteries molecular dynamics nanomaterials T-carbon

Selective core-shell doping enabling high performance 4.6 V-LiCoO_(2)

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Journal of Energy Chemistry 2024年第8期95卷 684-693,I0015页

作者： Yueming Xia jianrui feng Jinhui Li Yan Li Zhengfeng Zhang Xiaoqi Wang Jianli Shao Manling Sui Pengfei Yan Beijing Key Laboratory of Microstructure and Property of Solids College of Materials Science&EngineeringBeijing University of TechnologyBeijing 100124China PetroChina Research Institute of Petroleum Exploration&Development Beijing 100083China State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing 100081China

Constructing robust surface and bulk structure is the prerequisite for realizing high performance high voltage LiCoO_(2)(LCO).Herein,we manage to synthesize a surface Mg-doping and bulk Al-doping coreshell structured LCO,which demonstrates excellent cycling ***-cell shows 94.2%capacity retention after 100 cycles at 3.0-4.6 V(***/Li^(+))cycling,and no capacity decay after 300 cycles for fullcell test(3.0-4.55 V).Based on comprehensive microanalysis and theoretical calculations,the degradation mechanisms and doping effects are systematically *** the undoped LCO,high voltage cycling induces severe interfacial and bulk degradations,where cracks,stripe defects,fatigue H2 phase,and spinel phase are identified in grain *** the doped LCO,Mg-doped surface shell can suppress the interfacial degradations,which not only stabilizes the surface structure by forming a thin rock-salt layer but also significantly improves the electronic conductivity,thus enabling superior rate *** Al-doping can suppress the lattice"breathing"effect and the detrimental H3 to H1-3 phase transition,which minimizes the internal strain and defects growth,maintaining the layered structure after prolonged *** theoretical calculations,this work deepens our understanding of the doping effects of Mg and Al,which is valuable in guiding the future material design of high voltage LCO.

关键词： Lithium-ion battery Doping effect Failure mechanism High-voltage LiCoO_(2) Electron microscopy

A highly efficient atomically thin curved Pd Ir bimetallene electrocatalyst

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National Science Review 2021年第9期8卷 100-110页

作者： Fan Lv Bolong Huang jianrui feng Weiyu Zhang Kai Wang Na Li Jinhui Zhou Peng Zhou Wenxiu Yang Yaping Du Dong Su Shaojun Guo School of Materials Science and Engineering Peking University Department of Applied Biology and Chemical Technology Hong Kong Polytechnic University Frontier Institute of Science and Technology jointly with College of Science Xi'an Jiaotong University Center for Functional Nanomaterials Brookhaven National Laboratory School of Materials Science and Engineering & National Institute for Advanced Materials Nankai University College of Engineering Peking University

The multi-metallene with an ultrahigh surface area has great potential in precise tuning of surface heterogeneous d-electronic correlation by surface strain effect for the distinctive surface electronic structure, which is a brand new class of promising 2 D electrocatalyst for sustainable energy device application. However, achieving such an atomically thin multi-metallene still presents a great ***, we present a new synthetic method for an atomic-level palladium-iridium(Pd Ir) bimetallene with an average thickness of only～1.0 nm for achieving superior catalysis in the hydrogen evolution reaction(HER) and the formic acid oxidation reaction(FAOR). The curved Pd Ir bimetallene presents a top-ranked high electrochemical active area of 127.5 ± 10.8 m~2 g Pd+Ir-1in the reported noble alloy materials, and exhibits a very low overpotential, ultrahigh activity and improved stability for HER and FAOR. DFT calculation reveals that the Pd Ir bimetallene herein has a unique lattice tangential strain, which can induce surface distortion while concurrently creating a variety of concave-convex featured micro-active regions formed by variously coordinated Pd sites agglomeration. Such a strong strain effect correlates the abnormal on-site active 4 d10-t2g-orbital Coulomb correlation potential and directly elevates orbital-electronegativity exposure within these active regions, resulting in a preeminent barrier-free energetic path for significant enhancement of FAOR and HER catalytic performance.

关键词： strain metallene PdIr alloy atomically thin electrocatalyst

Hybrid Ni_(2)P/CoP Nanosheets as Efficient and Robust Electrocatalysts for Domestic Wastewater Splitting

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Energy & Environmental Materials 2023年第5期6卷 330-339页

作者： Yeshu Tan jianrui feng Liqun Kang Longxiang Liu Fangjia Zhao Siyu Zhao Dan J.L.Brett Paul R.Shearing Guanjie He Ivan P.Parkin Christopher Ingold Laboratory Department of ChemistryUniversity College LondonLondon WC1H 0AJUK Materials and Catalysis Laboratory Department of Chemical EngineeringUniversity College LondonLondon WC1E 7JEUK Electrochemical Innovation Laboratory Department of Chemical EngineeringUniversity College LondonLondon WC1E 7JEUK School of Chemistry University of LincolnJoseph Banks LaboratoriesLincolnLN67DLUK

The development of low-cost,robust and efficient non-noble metal electrocatalysts is still a pursuit for the hydrogen evolution reaction(HER).Herein,a self-standing electrocatalyst,Ni_(2)P/CoP nanosheet,was fabricated directly on three-dimensional Ni foams by two facile steps,which illustrated both high activity and stability for HER in different *** from the porous structures of nanosheets with large specific surface area and the hybrid Ni_(2)P/CoP,the as-prepared electrocatalyst presented remarkable HER with overpotentials of 65.2 and 87.8 mV to reach a current density of-10 mA cm^(-2)in neutral and alkaline media,*** function theory calculations revealed a lower activation energy of water dissociation and efficient HER steps of hybrid Ni_(2)P/CoP nanosheets compared with mono *** self-standing electrocatalyst maintained excellent chemical ***,the HER process in domestic wastewater was realized with more impressive performance by using Ni_(2)P/CoP nanosheets compared with commercial Pt/*** was continuously generated for 20 h in mildly alkaline dishwashing *** work provides a feasible way to fabricate non-noble metal and self-standing hybrid bimetallic phosphides for HER in neutral and alkaline media,showing great potential for efficient hydrogen production by re-utilizing wastewater resources.

关键词： hybrid hydrogen evolution reaction Ni_(2)P/CoP nanosheet self-standing wastewater splitting

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纳米W粉冲击烧结的分子动力学模拟

爆炸与冲击 2020年第2期40卷 99-106页

作者：刘晓雯冯建锐周强陈鹏万北京理工大学爆炸科学与技术国家重点实验室

粉末冲击烧结是制备高品质W的一种有效方法,而分子动力学方法在尺度极小、过程迅速的数值模拟上有着独特的优势。因此运用分子动力学方法,结合W的嵌入原子势,对常温下的纳米W粉末的冲击烧结过程进行模拟,得到颗粒微观压实过程图、体系... 详细信息

粉末冲击烧结是制备高品质W的一种有效方法,而分子动力学方法在尺度极小、过程迅速的数值模拟上有着独特的优势。因此运用分子动力学方法,结合W的嵌入原子势,对常温下的纳米W粉末的冲击烧结过程进行模拟,得到颗粒微观压实过程图、体系速度分布云图、p-Up、T-Up、T-p曲线以及径向分布函数。研究了不同颗粒速度及产生的射流对纳米W粉末冲击烧结影响,分析了微观冲击烧结机理。结果表明,低速冲击条件下(500 m/s以下),纳米颗粒无法压实。高速条件下(1000 m/s及以上),颗粒能获得致密化很高的压实。颗粒间的相互挤压造成的高应力使颗粒表面的原子发生流动变形,原子向颗粒间空隙流动,形成压实。颗粒间产生的射流以及高速冲击导致的颗粒熔化,均促进烧结获得致密度更高的烧结体。

关键词：冲击烧结纳米W粉分子动力学压实机理

应急物资储备点选址多目标优化模型及算法研究

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中国安全生产科学技术 2018年第6期14卷 64-69页

作者：冯舰锐盖文妹中国地质大学(北京)工程技术学院北京100083

为应急物资储备点的选址问题提供一个合理的解决方法,提高应急救援工作的响应能力,基于运筹学中求解多目标优化问题的理论和方法,根据紧急情况下物资运输调度的时效性与经济性特征,构造相应目标函数,引入权重综合考虑时效性和经济性,并... 详细信息

为应急物资储备点的选址问题提供一个合理的解决方法,提高应急救援工作的响应能力,基于运筹学中求解多目标优化问题的理论和方法,根据紧急情况下物资运输调度的时效性与经济性特征,构造相应目标函数,引入权重综合考虑时效性和经济性,并利用可变权重因子构造辅助函数,进而建立应急选址问题的优化模型;在此基础上,借用智能算法中系统动态演化方法,提出求解权重的算法,并拓展到多目标决策,将多目标问题逐步转化为单目标问题进而解决;实例计算结果验证了所提算法的正确性及优势,以及求解效率、辅助函数性质的正确性,可以为决策者提供多种在灾变条件下的选择方案;此外,提出的算法也可用于应急管理领域中其他相关优化与选址问题。

关键词：应急管理多目标优化应急物资选址

水喷雾作用下特高压换流变压器火灾上部空间温度研究

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高压电器 2023年第10期59卷 140-145页

作者：张佳庆黄勇周亦夫过羿覃义仁冯舰锐康宁国网安徽省电力有限公司电力科学研究院合肥230601 电力火灾与安全防护安徽省重点实验室合肥230022 国家电网公司输变电设施火灾防护实验室合肥230022 国家电网有限公司北京100031 中国科学技术大学火灾科学国家重点实验室合肥230027

针对换流变压器火灾中换流变压器上方跨线受热后易发生断裂的现象,利用火灾动力学模拟软件(fire dynamics simulator,FDS),研究换流变压器发生火灾时,周边水喷雾系统对上部空间温度分布的影响。结果表明:处于围护结构中的换流变压器发... 详细信息

针对换流变压器火灾中换流变压器上方跨线受热后易发生断裂的现象,利用火灾动力学模拟软件(fire dynamics simulator,FDS),研究换流变压器发生火灾时,周边水喷雾系统对上部空间温度分布的影响。结果表明:处于围护结构中的换流变压器发生火灾时易形成贴壁火羽流,并在喷雾作用下在远离阀厅的位置形成另外的高温区域;变压器上油枕、套管等结构,影响了火灾发生时的羽流流场,进而阻碍了部分区域的温度演变,在模拟所得温度场情况下,线缆钢材温度已经超过其力学性能和机械性能失效的临界值,因此需要对相应位置处的结构提供保护、加强材料性能以及保证水喷雾系统的有效性,提升线缆在火灾中的可靠性,降低火灾次生灾害引起的损失。

关键词：特高压换流变压器水喷雾温度分布火灾动力学模拟软件模拟研究

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对膜簧片型汽笛频率影响因素的研究

物理与工程 2018年第5期28卷 72-77页

作者：冯舰锐陈聪吴秀文董爱国中国地质大学(北京) 北京100083

本文对汽笛频率影响因素进行了理论与实验探究,在汽笛薄膜振动动力学方程中引入了附加质量的概念,并建立了薄膜振动模型。根据该模型研究了薄膜面密度,管子的长度与半径,容器的半径和进气质量流速对汽笛发声频率的影响;通过声音在管道... 详细信息

本文对汽笛频率影响因素进行了理论与实验探究,在汽笛薄膜振动动力学方程中引入了附加质量的概念,并建立了薄膜振动模型。根据该模型研究了薄膜面密度,管子的长度与半径,容器的半径和进气质量流速对汽笛发声频率的影响;通过声音在管道内传播的波动方程给出了管内空气柱振动模型。实验研究结果表明,对声音信号基频的主要影响因素包括薄膜参数和管子参数。当薄膜张力增大时,声音信号的基频增大;但是当薄膜半径和薄膜面密度增大时,声音信号的基频却减小。当进气速率增大时,声音信号的基频增大;但是,当管子的长度和半径增大时,声音信号的基频却减小。截止目前,该项研究在国内外鲜见研究报道。

关键词：气球汽笛发声原理薄膜空气柱