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Atomically precise Ru-O-Ru clusters for enhanced water dissociation in alkaline hydrogen evolution

Nano Research 2024年第8期17卷 6993-7000页

作者： Dong liu Li Xu Sicheng Li Airong Xu Yuanhua Sun Tong liu Mengyuan liu Huijuan Wang Xiaokang liu Tao Yao Tao Ding Hefei National Research Center for Physical Sciences at the Microscale School of Nuclear Science and TechnologyKey Laboratory of Precision and Intelligent ChemistryNational Synchrotron Radiation LaboratoryUniversity of Science and Technology of ChinaHefei 230029China Experimental Center of Engineering and Materials Science University of Science and Technology of ChinaHefei 230026China

Atomic clusters typically exhibit distinctive electronic structures and physicochemical ***,as the size decreases,their ability to adsorb and dissociate water also diminishes,thereby affecting chemical reactions involving water *** the adsorption and dissociation capabilities of atomic clusters towards water molecules and elucidating the mechanisms underlying their performance enhancement have become important research ***,employing the carrier-anchored strategy,Ru-O-Ru atomic clusters were prepared and displayed excellent activity and durability in the hydrogen evolution ***,the Ru-O-Ru atomic clusters exhibited only 86 mV overpotential at 100 mA·cm−^(2) and superior membrane-electrode-assembly activity than commercial Ru/C *** radiation-based Fourier transform infrared spectroscopic measurements revealed that the modification of oxygen in Ru-O-Ru units promoted the reorientation of water molecules from a H-up orientation to H-down,therefore,enhanced the formation of strong hydrogen-bond network of interfacial water on the surface of Ru-O-Ru clusters,leading to enhanced adsorption and dissociation of water and accelerated Volmer *** findings provide a potential strategy and deep insights for the development of atomic clusters in electrocatalysts.

关键词： hydrogen evolution in-situ Fourier transform infrared(FTIR) Ru catalysts electrocatalysis atomic clusters

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Atomistic study on the microscopic mechanism of grain boundary embrittlement induced by small dense helium bubbles in iron

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Nuclear Science and Techniques 2024年第3期35卷 84-95页

作者： Lei Peng Yong-Jie Sun Jing-Yi Shi Yi-Fei liu Shang-Ming Chen liu-liu Li State Key Laboratory of Particle Detection and Electronics University of Science and Technology of ChinaHefei 230026China School of Nuclear Science and Technology University of Science and Technology of ChinaHefei 230027China Science and Technology on Reactor System Design Technology Laboratory Nuclear Power Institute of ChinaChengdu 610213China

The helium bubbles induced by 14 MeV neutron irradiation can cause intergranular fractures in reduced activation ferritic martensitic steel,which is a candidate structural material for fusion *** order to elucidate the susceptibility of different grain boundaries(GBs)to helium-induced embrittlement,the tensile fracture processes of 10 types of GBs with and without helium bubbles in body-centered cubic(bcc)iron at the relevant service temperature of 600 K were investigated via molecular dynamics *** results indicate that in the absence of helium bubbles,the GBs studied here can be classified into two distinct categories:brittle GBs and ductile *** atomic scale analysis shows that the plastic deformation of ductile GB at high temperatures originates from complex plastic deformation mechanisms,including the Bain/Burgers path phase transition and deformation twinning,in which the Bain path phase transition is the most dominant plastic deformation ***,the presence of helium bubbles severely inhibits the plastic deformation channels of the GBs,resulting in a significant decrease in elongation at *** bubble-decorated GBs,the ultimate tensile strength increases with the increase in the misorientation ***,the coherent twin boundary∑3{112}was found to maintain relatively high fracture strength and maximum failure strain under the influence of helium bubbles.

关键词： Helium bubble Grain boundary Embrittlement Reduced activation ferritic martensitic steel Molecular dynamics Bain path

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Unlocking high-efficiency oxygen evolution reaction through Co-N coordination engineering in Co@N-doped porous carbon core–shell nanoparticles

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Nano Research 2024年第8期17卷 7068-7076页

作者： Shucheng liu Yu Shuai Xiaosi Qi Zhao Ding Yi liu College of Big Data and Information Engineering Guizhou UniversityGuiyang 550025China College of Physics Guizhou Province Key Laboratory for Photoelectrics Technology and ApplicationGuizhou UniversityGuiyang 550025China

Modulation of metal sites coordination can significantly refine the electronic architecture of catalysts,thereby improving their catalytic *** work successfully developed a core–shell Co@N-doped porous carbon(Co@NC)catalyst by pyrolyzing the COF/MOF(IISERP-COF3/ZIF-67)composite in an inert *** Co@NC catalyst exhibited impressive oxygen evolution reaction(OER)performance,with a small overpotential of 304 mV and a modest Tafel slope of 88.6 mV·dec^(−1) in a 1 M KOH,alongside remarkable stability,maintaining 98.5%of its activity over 13 *** role of IISERP-COF3 was pivotal in preventing Co atom aggregation during the ZIF-67 pyrolysis,which facilitated the creation of mesopores for enhanced mass transport and ***,it effectively modulated the Co-N coordination to fine-tune the electronic structure,thereby optimizing the catalyst's capacity for adsorption of intermediates and boosting its intrinsic *** functional theory(DFT)studies corroborate that the exceptional OER efficiency of Co@NC can be linked to the enhanced Co-N coordination,optimizing the localized electronic structure at the Co active *** study not only proposes an innovative approach for optimizing COF/MOF as effective electrocatalysts but also clears the path for the emergence of affordable,high-performance alternatives to precious metal-based catalysts,marking a significant advancement in sustainable energy technologies.

关键词： covalent organic framework(COF) metal-organic framework(MOF) core-shell structure catalysts oxygen evolution reaction

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A multi-terminal ion-controlled transistor with multifunctionality and wide temporal dynamics for reservoir computing

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Nano Research 2024年第5期17卷 4444-4453页

作者： Kekang liu Jie Li Fangzhou Li Yiyuan Lin Hongrui liu Linzi Liang Zhiyuan Luo Wei liu Mengye Wang Feichi Zhou Yanghui liu School of Materials Sun Yat-Sen UniversityShenzhen 518107China School of Microelectronics Southern University of Science and TechnologyShenzhen 518055China School of Software East China Jiaotong UniversityNanchang 330013China

Reservoir computing(RC)is an energy-efficient computational framework with low training cost and high efficiency in processing spatiotemporal *** state-of-the-art fully memristor-based hardware RC system suffers from bottlenecks in the computation efficiencies and accuracy due to the limited temporal tunability in the volatile memristor for the reservoir layer and the nonlinearity in the nonvolatile memristor for the readout ***,integrating different types of memristors brings fabrication and integration *** overcome the challenges,a multifunctional multi-terminal electrolyte-gated transistor(MTEGT)that combines both electrostatic and electrochemical doping mechanisms is proposed in this work,integrating both widely tunable volatile dynamics with high temporal tunable range of 10^(2) and nonvolatile memory properties with high long-term potentiation/long-term depression(LTP/LTD)linearity into a single *** ion-controlled physical RC system fully implemented with only one type of MTEGT is constructed for image recognition using the volatile dynamics for the reservoir and nonvolatility for the readout ***,an ultralow normalized mean square error of 0.002 is achieved in a time series prediction *** is believed that the MTEGT would underlie next-generation neuromorphic computing systems with low hardware costs and high computational performance.

关键词： reservoir computing multi-terminal electrolyte-gated transistor ionic controlling rich dynamics nonlinear dynamical prediction

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Transient Monte Carlo simulation of phonon transport in silicon nanofilms with the local heat source

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Science China(Technological Sciences) 2024年第7期67卷 2087-2098页

作者： LI JiaQi CAI JiuQing LI Rui liu ZhiChun liu Wei School of Energy and Power Engineering Huazhong University of Science and TechnologyWuhan 430074China Wuhan Second Ship Design and Research Institute Wuhan 430205China

Accurate prediction of junction temperature is crucial for the efficient thermal design of silicon nano-devices. In nano-scale semiconductor devices, significant ballistic effects occur due to the mean free path of phonons comparable to the heat source size and device scale. We employ a three-dimensional non-gray Monte Carlo simulation to investigate the transient heat conduction of silicon nanofilms with both single and multiple heat sources. The accuracy of the present method is first verified in the ballistic and diffusion limits. When a single local heat source is present, the width of the heat source has a significant impact on heat conduction in the domain. Notably, there is a substantial temperature jump at the boundary when the heat source width is 10 *** increasing heat source width, the boundary temperature jump weakens. Furthermore, we observe that the temperature excitation rate is independent of the heat source width, while the temperature influence range expands simultaneously with the increase in heat source width. Around 500 ps, the temperature and heat flux distribution in the domain stabilize. In the case of dual heat sources, the hot zone is broader than that of a single heat source, and the temperature of the hot spot decreases as the heat source spacing increases. However, the mean heat flux remains unaffected. Upon reaching a spacing of 200 nm between the heat sources, the peak temperature in the domain remains unchanged once a steady state is reached. These findings hold significant implications for the thermal design of silicon nano-devices with local heat sources.

关键词： phonon transport Monte Carlo simulation transient heat conduction silicon nanofilms local heat source

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Improvement effect of reversible solid solutions Mg_(2)Ni(Cu)/Mg_(2)Ni(Cu)H_(4)on hydrogen storage performance of MgH_(2)

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Journal of Magnesium and Alloys 2024年第1期12卷 197-208页

作者： Yingyan Zhao Zhibing liu Jiangchuan liu Yunfeng Zhu Jiguang Zhang Yana liu Xiaohui Hu Liquan Li College of Materials Science and Engineering Nanjing Tech University30 South Puzhu RoadNanjing211816PR China Jiangsu Collaborative Innovation Centre for Advanced Inorganic Function Composites Nanjing Tech UniversityNanjing211816PR China

The hydrogen absorption/desorption kinetic properties of MgH_(2)can be effectively enhanced by doping specific *** this work,MOFs-derived NiCu@C nanoparticles(~15 nm)with regular core-shell structure were successfully prepared and introduced into MgH_(2)(denoted as MgH_(2)-NiCu@C).The onset and peak temperatures of hydrogen desorption of MgH_(2)-11 wt.%NiCu@C are 175.0℃and282.2℃,*** apparent activation energy of dehydrogenated reaction is 77.2±4.5 kJ/mol for MgH_(2)-11 wt.%NiCu@C,which is lower than half of that of the as-milled MgH_(2).Moreover,MgH_(2)-11 wt.%NiCu@C displays great cyclic *** strengthening"hydrogen pumping"effect of reversible solid solutions Mg_(2)Ni(Cu)/Mg_(2)Ni(Cu)H_(4)is proposed to explain the remarkable improvement in hydrogen absorption/desorption kinetic properties of MgH_(2).This work offers a novel perspective for the design of bimetallic nanoparticles and beyond for application in hydrogen storage and other energy related fields.

关键词： Magnesium hydride Reversible solid solution Core-shell nanoparticles Hydrogen storage performance

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Mitigate noisy data for smart IoT via GAN based machine unlearning

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Science China(Information Sciences) 2024年第3期67卷 62-78页

作者： Zhuo MA Yilong YANG Yang liu Xinjing liu Jianfeng MA School of Cyber Engineering Xidian University State Key Laboratory of Integrated Services Networks (ISN)

With the development of IoT applications, machine learning dramatically improves the utility of variable IoT systems such as autonomous driving. Although the pretrain-finetune framework can cope well with data heterogeneity in complex IoT scenarios, the data collected by sensors often contain unexpected noisy data, e.g., out-of-distribution(OOD) data, which leads to the reduced performance of fine-tuned models. To resolve the problem, this paper proposes Mu GAN, a method that can mitigate the side-effect of OOD data via the generative adversarial network(GAN)-based machine unlearning. Mu GAN follows a straightforward but effective idea to mitigate the performance loss caused by OOD data, i.e., “flashbacking” the model to the condition where OOD data are excluded from model training. To achieve the goal, we design an adversarial game, where a discriminator is trained to identify whether a sample belongs to the training set by observing the confidence score. Meanwhile, a generator(i.e., the target model) is updated to fool the discriminator into believing that the OOD data are not included in the training set but others do. The experimental results show that benefiting from the high unlearning rate(more than 90%) and retention rate(99%), Mu GAN succeeds in lowering the model performance degradation caused by OOD data from 5.88% to 0.8%.

关键词： machine unlearning generative adversarial network out of distribution data Internet of Thing neural network

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Design and performance investigation of modified dual reflector parabolic trough collector with double planar mirrors

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Science China(Technological Sciences) 2024年第3期67卷 902-918页

作者： LI Peijing liu TaiXiu QIN YuanLong LI JiChao liu QiBin School of Energy Powerand Mechanical EngineeringNorth China Electric Power University Beijing 226China Institute of Engineering Thermophysics Chinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China Department of Thermal Science and Energy Engineering University of Science and Technology of ChinaHefei 230027China

In a typical parabolic trough collector(PTC), sunlight is concentrated at the bottom of the absorber tube. This concentrated solar flux leads to uneven heat distribution, resulting in high local temperatures and significant thermal stress on the absorber *** limitations have restricted the application of PTCs in solar thermochemistry and other fields and have impacted their safe operation. In this study, a new PTC with dual planar mirrors(DPMS) is proposed to homogenize the circumferential solar flux distribution of the absorber tube. A design method and single-objective optimization of the new PTC with a DPMS are proposed,and an uncertainty analysis of the operational and structural parameters is performed. A coupled light-heat-structure numerical model was developed to study the heat transfer performance and structural mechanical properties. The thermodynamic properties of the PTC with DPMS under different boundary conditions were analyzed. The results show that the circumferential temperature difference of the new PTC is within 2.6 K, and the circumferential thermal deformation is within 0.9 mm under typical working conditions(the inlet velocity of the heat transfer fluid is 3 m/s, inlet temperature is 573.15 K, and the direct normal irradiance is 1000 W/m^(2)). Compared with conventional PTCs, the circumferential temperature difference is reduced by 74%–90%, and the maximum thermal deformation along the y-axis is reduced by more than 95% under all working conditions(1–5 m/s, 373.5–675.15 K, 200–1000 W/m^(2)). The new PTC maintains the uniformity of the circumferential solar flux distribution for different operating parameters(sun incident angle of 0°–3°) and installation errors(±3 mm), is suitable for solar energy applications in various fields, and has the potential for large-scale applications.

关键词： solar thermal energy parabolic trough collector secondary reflector solar flux distribution optical optimization

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Advances in self-assembly-based circularly polarized luminescent materials

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Science China Chemistry 2024年第10期67卷 3247-3257页

作者： Bing-Hao liu Yang Zong Na liu Zong-Quan Wu State Key Laboratory of Supramolecular Structure and Materials College of ChemistryJilin UniversityChangchun 130012China The School of Pharmaceutical Sciences Jilin UniversityChangchun 130021China

Circularly polarized luminescent(CPL)materials have garnered attention for their diverse applications,including three-dimensional(3D)imaging,bio-imaging,chiral sensing,and other emerging ***,the fabrication of CPL-activated materials required the use of chiral luminescent small *** introduction of the idea of self-assembly has transformed the production of CPL-activated materials,providing new and promising opportunities for their *** utilizing self-assembly,it is now feasible to produce chiral nano-assemblies with CPL activity not only from chiral molecules but also from non-chiral substances and inorganic *** addition,self-assembly routes provide a way to increase the asymmetry factor,creating possibilities for additional refinement and adjustment of CPL material *** review offers a summary of the current progress and developments in the self-assembly of small molecules and polymers,with a specific emphasis on their capacity to create or enhance CPL in different *** aim of this review is to inspire interest in optical materials that are based on the principles of self-assembly.

关键词： circularly polarized luminescence photochemistry self-assembly chiral materials

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Dynamic Simulation of Distribution Networks Using Multi-stage Discontinuous Galerkin Method

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CSEE Journal of Power and Energy Systems 2024年第1期10卷 185-196页

作者： Ruizhi Yu Wei Gu Weiqi liu Peixin Li Wei liu School of Electrical Engineering Southeast UniversityNanjing 210096China. the School of Electrical Engineering Southeast UniversityNanjing 210096China School of Automation Nanjing University of Science and TechnologyNanjing 210094China

Dynamic simulation plays a fundamental role in security evaluation of distribution networks(DNs).However,the strong stiffness and non-linearity of distributed generation(DG)models in DNs bring about burdensome computation and noteworthy instability on traditional methods which hampers the rapid response of simulation ***,a novel L-stable approximate analytical method with high accuracy is proposed to handle these *** method referred to as multistage discontinuous Galerkin method(MDGM),first derives approximate analytical solutions(AASs)of state variables which are explicit symbolic expressions concerning system ***,in each time window,it substitutes values for symbolic variables and trajectories of state variables are obtained *** paper applies MDGM to DG models to derive ***-truncation-error-based variable step size strategy is also developed to further improve simulation *** addition,this paper establishes detailed MDGM-based dynamic simulation *** case studies on a numerical problem,a modified 33-bus system and a practical large-scale DN,it can be seen that proposed method demonstrates fast and dependable performance compared with the traditional trapezoidal method.

关键词： Approximate analytical method distribution network distributed generation dynamic simulation multi-stage discontinuous Galerkin method variable step size

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