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Journal of Energy Chemistry 2023年第5期80卷 594-602,I0013页

作者： Rongrong Zhang Beibei Guo Lun Pan zhen-feng huang Chengxiang Shi Xiangwen Zhang Ji-Jun Zou Key Laboratory for Green Chemical Technology of the Ministry of Education School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China Joint School of National University of Singapore and Tianjin University International Campus of Tianjin UniversityBinhai New CityFuzhou 350207FujianChina Haihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China

Metal oxyhydroxides(MOOH)generated from irreversible reconstructions of transition metal compounds are intrinsic active species for oxygen evolution reaction,whose activities are still constrained by sluggish deprotonation kinetics and inherent adsorption energy scaling ***,we construct a tunable proton acceptor(TPA)on oxyhydroxides by in-situ reconstruction of metal oxoacids such as NiC2O4to accelerate deprotonation and break adsorption energy scaling relations during *** modified C_(2)O_(4)^(2-)as a TPA can easily extract H of*OH(forming*HC2O4intermediate)and then promote deprotonation by the transmitted hydrogen bond with*OOH along conjugated(H...)O=C-O(-H)*** a result,Ni OOH-C2O4shows non-concerted proton-electron transfer and improved deprotonation rate,and delivers a good OER activity(270 mV@10 mA cm-2).The conjugate acidity coefficient(pKa)of the modified oxoacid group can be a descriptor for TPA *** TPA strategy can be universally applied to Co-,Fe-,and Ni-based oxyhydroxides to facilitate OER efficiency.

关键词： Electrocatalysis Metal oxyhydroxide Oxoacid group Tunable proton acceptor Oxygen evolution reaction

Coupling ferromagnetic ordering electron transfer channels and surface reconstructed active species for spintronic electrocatalysis of water oxidation

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Journal of Energy Chemistry 2023年第10期85卷 570-580,I0014页

作者： Zexing He Xiaokang Liu Minghui Zhang Lei Guo Muhammad Ajmal Lun Pan Chengxiang Shi Xiangwen Zhang zhen-feng huang Ji-Jun Zou Key Laboratory for Green Chemical Technology of the Ministry of Education School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China Collaborative Innovative Center of Chemical Science and Engineering(Tianjin) Tianjin 300072China Zhejiang Institute of Tianjin University Ningbo 315201ZhejiangChina Haihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China

Sluggish reaction kinetics of oxygen evolution reaction(OER), resulting from multistep proton-coupled electron transfer and spin constriction, limits overall efficiency for most reported catalysts. Herein, using modeled ZnFe_(2-x)Ni_xO_(4)(0 ≤ x ≤ 0.4) spinel oxides, we aim to develop better OER electrocatalyst through combining the construction of ferromagnetic(FM) ordering channels and generation of highly active reconstructed species. The number of symmetry-breaking Fe–O–Ni structure links to the formation of FM ordering electron transfer channels. Meanwhile, as the number of Ni^(3+)increases, more ligand holes are formed, beneficial for redirecting surface reconstruction. The electro-activated ZnFe_(1.6)Ni_(0.4)O_(4) shows the highest specific activity, which is 13 and 2.5 times higher than that of ZnFe_(2)O_(4) and unactivated ZnFe_(1.6)Ni_(0.4)O_(4), and even superior to the benchmark IrO_(2) under the overpotential of 350 mV. Applying external magnetic field can make electron spin more aligned, and the activity can be further improved to 39 times of ZnFe_(2)O_(4). We propose that intriguing FM exchange-field interaction at FM/paramagnetic interfaces can penetrate FM ordering channels into reconstructed oxyhydroxide layers, thereby activating oxyhydroxide layers as spin-filter to accelerate spin-selective electron transfer. This work provides a new guideline to develop highly efficient spintronic catalysts for water oxidation and other spin-forbidden reactions.

关键词： Oxygen evolution reaction Reconstruction mechanism Metal oxyhydroxides Electron transfer channels Ferromagnetic exchange-field penetration

Regulating the interfacial charge transfer and constructing symmetry-breaking sites for the enhanced N_(2) electroreduction activity

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Carbon Energy 2023年第2期5卷 193-200页

作者： Xiaoxue Zhang Yuehan Cao zhen-feng huang Shishi Zhang Chengguang Liu Lun Pan Chengxiang Shi Xiangwen Zhang Ying Zhou Guidong Yang Ji-Jun Zou Key Laboratory for Green Chemical Technology of the Ministry of Education School of Chemical Engineering and TechnologyTianjin UniversityTianjinChina Collaborative Innovative Center of Chemical Science and Engineering(Tianjin) TianjinChina Zhejiang Institute of Tianjin University NingboZhejiangChina State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation School of New Energy and MaterialsInstitute of Carbon NeutralitySouthwest Petroleum UniversityChengduSichuanChina XJTU-Oxford International Joint Laboratory for Catalysis School of Chemical Engineering and TechnologyXi'an Jiaotong UniversityXi'anShaanxiChina

The Haber-Bosch process for industrial NH_(3) production is energy-intensive with heavy CO_(2) *** N_(2) reduction reaction(NRR)is an attractive carbon-neutral alternative for NH_(3) synthesis,while the challenge associated with N_(2) activation highlights the demand for efficient ***,we demonstrate that PdCu nanoparticles with different Pd/Cu ratios anchored on boron nanosheet(PdCu/B)behave as efficient NRR electrocatalysts toward NH_(3) *** and experimental results confirm that the highly efficient NH_(3) synthesis can be achieved by regulating the charge transfer between interfaces and forming a symmetry-breaking site,which not only alleviates the hydrogen evolution but also changes the adsorption configuration of N_(2) and thus optimizes the reaction pathway of NRR over the separated Pd *** with monometallic Pd/B and Cu/B,the PdCu/B with the optimized Pd/Cu ratio of 1 exhibits superior activity and selectivity for NH_(3) *** study provides new insight into developing efficient catalysts for small energy molecule catalytic conversion via regulating the charge transfer between interfaces and constructing symmetry-breaking sites.

关键词： catalyst design electrochemical N_(2)reduction interfacial charge transfer reaction mechanism symmetry-breaking sites

Recent Advances in the Comprehension and Regulation of Lattice Oxygen Oxidation Mechanism in Oxygen Evolution Reaction

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天津大学学报:英文版 2023年第4期29卷 247-253页

作者： Xiaokang Liu Zexing He Muhammad Ajmal Chengxiang Shi Ruijie Gao Lun Pan zhen‑feng huang Xiangwen Zhang Ji‑Jun Zou Key Laboratory for Green Chemical Technology of the Ministry of Education School of Chemical Engineering and TechnologyInstitute of Molecular PlusTianjin UniversityTianjin 300072China Collaborative Innovative Center of Chemical Science and Engineering(Tianjin) Tianjin 300072China Zhejiang Institute of Tianjin University Ningbo 315201ZhejiangChina

Water electrolysis,a process for producing green hydrogen from renewable energy,plays a crucial role in the transition toward a sustainable energy landscape and the realization of the hydrogen *** evolution reaction(OER)is a critical step in water electrolysis and is often limited by its slow *** main mechanisms,namely the adsorbate evolution mechanism(AEM)and lattice oxygen oxidation mechanism(LOM),are commonly considered in the context of ***,designing efficient catalysts based on either the AEM or the LOM remains a topic of debate,and there is no consensus on whether activity and stability are directly related to a certain *** the above,we discuss the characteristics,advantages,and disadvantages of AEM and ***,we provide insights on leveraging the LOM to develop highly active and stable OER catalysts in *** instance,it is essential to accurately differentiate between reversible and irreversible lattice oxygen redox reactions to elucidate the ***,we discuss strategies for effectively activating lattice oxygen to achieve controllable steady-state exchange between lattice oxygen and an electrolyte(OH^(-)or H_(2)O).Additionally,we discuss the use of in situ characterization techniques and theoretical calculations as promising avenues for further elucidating the LOM.

关键词： Water electrolysis Oxygen evolution reaction(OER) Adsorbate evolution mechanism(AEM) Lattice oxygen oxidation mechanism(LOM)

Si/TiO2 carbon fiber core encapsulated in hierarchical multiple MXene@Co-MoS2 shells for constructing a free-standing anode of lithium storage

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Rare Metals 2024年第9期43卷 4222-4233页

作者： Xian-ping Du Ying huang Jia-ming Wang zhen-he feng Xu Sun MOE Key Laboratory of Material Physics and Chemistry Under Extraordinary Conditions School of Chemistry and Chemical Engineering Northwestern Polytechnical University Shanghai Institute of Space Power-Sources Ningbo Institute of Northwestern Polytechnical University

Silicon-based（Si-based） materials offer more possibilities for generating new portable electronic devices due to their high specific capacities. However, their inferior electrical conductivity and volume expansion during cycling seriously limit their development. The optimum solution is to select specific materials to establish an exceptionally conductive and volume buffer structure,which can assist Si materials in developing their excellent lithium storage properties. In this study, Si particles were confined in TiO2carbon fibers（TiO2CFs） via electrospinning, after which they were encapsulated with MXene and Co-MoS2（CMS） nanosheets to fabricate hierarchical ST-2@MXene@CMS films. TiO2CF, MXene and CMS were employed to establish a coherent conductive network with one-, two-and three-dimensional electronic pathways to permit the unimpeded flow of electrons inside the electrode material. TiO2CF, MXene and CMS acted precisely as multilayered buffers to ameliorate the volume change of Si particles during cycling. In addition, the CMS nanosheets were involved in lithium storage, contributing to the final electrochemical performance. Ultimately, the ST-2@MXene@CMS films served as free-standing electrodes, avoiding the impact of inactive interfaces on the electrochemical performance and fulfilling the lightweight requirement for new energy storage devices.

关键词： Co-MoS2 nanosheets Hierarchical structure Lithium-ion batteries MXene Si particles

Manipulating Spin Polarization of Defected Co_(3)O_(4)for Highly Effi cient Electrocatalysis

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Transactions of Tianjin University 2022年第3期28卷 163-173页

作者： Yue Li Tianzuo Wang Muhammad Asim Lun Pan Rongrong Zhang zhen-feng huang Zhichao Chen Chengxiang Shi Xiangwen Zhang Ji-Jun Zou Key Laboratory for Green Chemical Technology of the Ministry of Education School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China Haihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China Zhejiang Institute of Tianjin University Ningbo 315201ZhejiangChina Collaborative Innovative Center of Chemical Science and Engineering(Tianjin) Tianjin 300072China

Electrocatalytic water splitting is limited by kinetics-sluggish oxygen evolution,in which the activity of catalysts depends on their electronic ***,the infl uence of electron spin polarization on catalytic activity is ***,we successfully regulate the spin polarization of Co_(3)O_(4)catalysts by tuning the concentration of cobalt defects from 0.8 to 14.5%.X-ray absorption spectroscopy spectra and density functional theory calculations confi rm that the spin polarization of Co_(3)O_(4)is positively correlated with the concentration of cobalt ***,the enhanced spin polarization can increase hydroxyl group absorption to signifi cantly decrease the Gibbs free energy change value of the OER rate-determining step and regulate the spin polarization of oxygen species through a spin electron-exchange process to easily produce triplet-state O_(2),which can obviously increase electrocatalytic OER *** specifi c,Co_(3)O_(4)-50 with 14.5%cobalt defects exhibits the highest spin polarization and shows the best normalized OER *** work provides an important strategy to increase the water splitting activity of electrocatalysts via the rational regulation of electron spin polarization.

关键词： Co_(3)O_(4) Cobalt defect Oxygen evolution reaction Spin polarization Transition metals Water splitting

Novel intelligent reasoning system for tool wear prediction and parameter optimization in intelligent milling

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Advances in Manufacturing 2024年第1期12卷 76-93页

作者： Long-Hua Xu Chuan-zhen huang zhen Wang Han-Lian Liu Shui-Quan huang Jun Wang School of Mechanical Engineering Yanshan UniversityQinhuangdao066004HebeiPeople’s Republic of China Center for Advanced Jet Engineering Technologies(CaJET) Key Laboratory of High-efficiency and Clean Mechanical Manufacture(Ministry of Education)National Experimental Teaching Demonstration Center for Mechanical Engineering(Shandong University)School of Mechanical EngineeringShandong UniversityJinan250061People’s Republic of China Institute of Manufacturing Technology Guangdong University of TechnologyGuangzhou510006People’s Republic of China

Accurate intelligent reasoning systems are vital for intelligent *** this study,a new intelligent reasoning system was developed for milling processes to accurately predict tool wear and dynamically optimize machining *** developed system consists of a self-learning algorithm with an improved particle swarm optimization(IPSO)learning algorithm,prediction model determined by an improved case-based reasoning(ICBR)method,and optimization model containing an improved adaptive neural fuzzy inference system(IANFIS)and *** results showed that the IPSO algorithm exhibited the best global convergence *** ICBR method was observed to have a better performance in predicting tool wear than standard CBR *** IANFIS model,in combination with IPSO,enabled the optimization of multiple objectives,thus generating optimal milling *** paper offers a practical approach to developing accurate intelligent reasoning systems for sustainable and intelligent manufacturing.

关键词： Improved particle swarm optimization(IPSO)algorithm Improved case-based reasoning(ICBR)method Adaptive neural fuzzy inference system(ANFIS)model Tool wear prediction Intelligent manufacturing

Energy-information trade-off induces continuous and discontinuous phase transitions in lateral predictive coding

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Science China(Physics,Mechanics & Astronomy) 2024年第6期67卷 79-85页

作者： zhen-Ye huang Ruyi Zhou Miao huang Hai-Jun Zhou Key Laboratory for Theoretical Physics Institute of Theoretical PhysicsChinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China School of Optics and Photonics Beijing Institute of TechnologyBeijing 100081China Minjiang Collaborative Center for Theoretical Physics Minjiang UniversityFuzhou 350108China

Lateral predictive coding is a recurrent neural network that creates energy-efficient internal representations by exploiting statistical regularity in sensory ***,we analytically investigate the trade-off between information robustness and energy in a linear model of lateral predictive coding and numerically minimize a free energy *** observed several phase transitions in the synaptic weight matrix,particularly a continuous transition that breaks reciprocity and permutation symmetry and builds cyclic dominance and a discontinuous transition with the associated sudden emergence of tight balance between excitatory and inhibitory *** optimal network follows an ideal gas law over an extended temperature range and saturates the efficiency upper bound of energy *** results provide theoretical insights into the emergence and evolution of complex internal models in predictive processing systems.

关键词： predictive coding recurrent neural network phase transition internal model free energy

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Evaluation of Auto-Ignition Characteristics of Diesel Surrogate Fuels with the Same Derived Cetane Numbers at Changed Thermodynamic Environments

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Journal of Thermal Science 2024年第4期33卷 1590-1606页

作者： ZHANG Cong GUAN Yuanhang huang zhen HAN Dong Key Laboratory for Power Machinery and Engineering Ministry of EducationShanghai Jiao Tong UniversityShanghai200240China College of Smart Energy Shanghai Jiao Tong UniversityShanghai200240China Shanghai Non-carbon Energy Conversion and Utilization Institute Shanghai200240China

The ignition tendency of diesel fuels is highly sensitive to ambient conditions and fuel *** this study,the ignition characteristics of different diesel surrogate fuels with the same derived cetane numbers(DCN)were measured and compared in varied thermodynamic and oxidizing *** combustion pressures,heat release rates,ignition delays,and combustion delays of the test fuels were *** experimental results showed that the diesel surrogate fuels with the same DCNs exhibit similar ignition propensity at standard DCN test ***,for the test conditions of high cetane fuels,high ambient temperatures,and suficient oxygen concentrations,surrogate fuels with the same DCN have similar ignition behaviors,and using the DCN to evaluate fuel ignition tendency is ***,for the test conditions of low cetane fuels,low ambient temperatures,and reduced oxygen concentrations,different ignition behaviors are observed for the surrogate fuels with the same DCN,so at these conditions using DCN as the evaluation index for fuel ignition tendency may lead to higher uncertainty.

关键词： diesel fuels surrogate fuels derived cetane numbers constant volume combustion chamber

Surface quality investigation in high-speed dry milling of Ti-6Al-4V by using 2D ultrasonic-vibration-assisted milling platform

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Advances in Manufacturing 2024年第2期12卷 349-364页

作者： Jin Zhang Li Ling Qian-Yue Wang Xue-feng huang Xin-zhen Kang Gui-Bao Tao Hua-Jun Cao College of Mechanical and Vehicle Engineering Chongqing UniversityChongqing400044People’s Republic of China State Key Laboratory of Mechanical Transmissions Chongqing UniversityChongqing400044People’s Republic of China Aerospace Research Institute of Materials and Processing Technology Beijing100076People’s Republic of China

Ultrasonic-vibration-assisted milling(UVAM)is an advanced method for the efficient and precise machining of difficult-to-machine materials in modern ***,the milling efficiency is limited because the ultrasonic vibration toolholder ER16 collet has a critical cutting ***,a 2D UVAM platform is built to ensure precision machining efficiency and improve the surface quality without changing the milling *** evaluate this 2D UVAM platform,ultrasonic-vibration-assisted high-speed dry milling(UVAHSDM)is performed to process a titanium alloy(Ti-6Al-4V)on the platform,and the milling temperature,surface roughness,and residual stresses are selected as the important indicators for performance *** results show that the intermittent cutting mechanism of UVAHSDM combined with the specific spindle speed,feed speed,and vibration amplitude can reduce the milling temperature and improve the texture of the machined *** with conventional milling,UVAHSDM reduces surface roughness and peak-groove surface profile values and extends the range of residual surface compressive stresses from−413.96 MPa to−600.18 *** excellent processing performance demonstrates the feasibility and validity of applying this 2D UVAM platform for investigating surface quality achieved under UVAHSDM.

关键词： 2D ultrasonic-vibration-assisted milling(UVAM)platform Ultrasonic-vibration-assisted high-speed dry milling(UVAHSDM) Milling temperature Surface roughness Residual stress