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Transition metal clusters with precise numbers of atoms anchored on graphdiyne as multifunctional electrocatalysts for OER/ORR/HER:a computational study

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Rare Metals 2024年第7期43卷 3107-3117页

作者： Xin-yang Liu Jing-Wei Liu gang Li Jing-xiang Zhao College of Chemistry and Chemical Engineering Harbin Normal University

Subnanometer metal clusters play an increasingly important role in heterogeneous catalysis due to their high catalytic activity and *** this work,by means of the density functional theory（DFT） calculations,the catalytic activities of transition metal clusters with precise numbers of atoms supported on graphdiyne(TM1-4@GDY,TM=V,Cr,Mn,Fe,Co,Ni,Cu,Ru,Rh,Pd,Ir,Pt) were investigated for oxygen evolution reactions（OER）,oxygen reduction reactions（ORR） and hydrogen evolution reactions（HER）.The computed results reveal that the Pd2,Pd4and Pt1anchored graphdiyne can serve as trifunctional catalysts for OER/ORR/HER with the overpotentials of 0.49/0.37/0.06,0.45/0.33/0.12 and 0.37/0.43/0.01 V,respectively,while Pd1and Pt2@graphdiyne can exhibit excellent catalytic performance for water splitting（OER/HER） with the overpotentials of 0.55/0.17 and 0.43/0.03 *** addition,Ni1and Pd3anchored GDY can perform as bifunctional catalysts for metal-air cells（OER/ORR） and fuels cells（ORR/HER） with the overpotentials of 0.34/0.32 and 0.42/0.04 V,***,by precisely controlling the numbers of atoms in clusters,the TM1-4anchored graphdiyne can serve as promising multifunctional electrocatalysts for OER/ORR/HER,which may provide an instructive strategy to design catalysts for the energy conversation and storage devices.

关键词： Density functional theory Graphdiyne Single-cluster catalysts Multifunctional electrocatalysts Overpotential

Growth and inhibition of zinc anode dendrites in Zn-air batteries:Model and experiment

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Chinese Journal of Chemical Engineering 2024年第3期67卷 268-281页

作者： Cuiping He Qingyi Gou Yanqing Hou Jianguo Wang xiang You Ni yang Lin Tian gang Xie Yuanliang Chen Kunming University of Science and Technology State Key Laboratory of Complex Nonferrous Metal Resources Clean UtilizationKunming 650093China Kunming University of Science and Technology Faculty of Metallurgical and Energy EngineeringKunming 650093China China Copper Co.Ltd KunmingYunnan 650051China State Key Laboratory of Advanced Metallurgy for Non-ferrous Metals Kunming 650051China Sichuan Shunying Power Battery Materials Co.Ltd Sichuan 620076China

Zinc(Zn)-air batteries are widely used in secondary battery research owing to their high theoretical energy density,good electrochemical reversibility,stable discharge performance,and low cost of the anode active material ***,the Zn anode also leads to many challenges,including dendrite growth,deformation,and hydrogen precipitation *** this context,Zn dendrite growth has a greater impact on the cycle *** this dissertation,a dendrite growth model for a Zn-air battery was established based on electrochemical phase field theory,and the effects of the charging time,anisotropy strength,and electrolyte temperature on the morphology and growth height of Zn dendrites were studied.A series of experiments was designed with different gradient influencing factors in subsequent experiments to verify the theoretical simulations,including elevated electrolyte temperatures,flowing electrolytes,and pulsed *** simulation results show that the growth of Zn dendrites is controlled mainly by diffusion and mass transfer processes,whereas the electrolyte temperature,flow rate,and interfacial energy anisotropy intensity are the main *** experimental results show that an optimal electrolyte temperature of 343.15 K,an optimal electrolyte flow rate of 40 ml·min^(-1),and an effective pulse charging mode.

关键词： Zn-air battery Zinc anode Zinc dendrite Simulated dendrite growth Inhibit dendrite growth Phase-field model

Interface engineering of Co_(9)S_(8)/SnS heterostructure as a high-performance anode for lithium/sodium-ion batteries

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Rare Metals 2024年第2期43卷 612-623页

作者： Jia Luo Shi-Li xiang Dan-yang Han An Liu João Cunha gang-Yong Li Zhao-Hui Hou Hong Yin School of Chemistry and Chemical Engineering Key Laboratory of Hunan Province for Advanced Carbon-based Functional MaterialsHunan Institute of Science and TechnologyYueyang414006China Hubei Jiufengshan Laboratory Wuhan430206China International Iberian Nanotechnology Laboratory(INL) Av.Mestre Jose Veiga4715-330BragaPortugal

Transition metal sulfide(TMS)anodes exhibit the characteristics of phase stability and high capacity for lithium/sodium-ion batteries(LIBs/SIBs).However,the TMS anodes often suffer from poor electronic conductivity,low ionic diffusion and large volume expansion during Li/Na-ion intercalation significantly impairing the Li/Na-storage ***,a long chain heterostructure composed of the Co_(9)S_(8) and SnS are first reported,which can generate rich phase interfaces,and small crystal *** unique structure can facilitate the properties of reactivity,conductivity and ionic *** addition,the heterostructure surface is modified by the N-doped carbon(N-DC@(CoSn)S),successfully improving the structural *** synergistic effects of Co_(9)S_(8)/SnS heterostructure and coated carbon layer effectively increase the capacity and cycling *** N-DC@(CoSn)S anode delivers enhanced high specific capacities of 820.6 mAh·g^(−1) at 1.0 A·g^(–1) after 500 cycles for LIBs and 339.2 mAh·g^(–1)at 0.5 A·g^(–1) after 1000 cycles for SIBs,*** work is expected to provide a material design idea for preparing LIBs/SIBs with high capacity and long cycling life.

关键词： Interface engineering Long chain heterostructure High capacity Cycling stability Li Na-ion batteries

A Novel Design of a Pre-separation Panel Structure to Protect Against the Impact of an Explosion in an Aircraft Plenum Chamber

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Acta Mechanica Solida Sinica 2024年第1期37卷 166-180页

作者： Zongxing Liu xiang yang Jun Liu School of Aeronautics Northwestern Polytechnical UniversityXi'an 710072China COMAC Shanghai Aircraft Design and Research Institute Shanghai 201210China

To reduce the damage of the pressurizing panel structure of a fuselage caused by an explosion at the“least risk bomb location”in an aircraft structure,a new pre-separation panel structure was designed to resist blast ***,the dynamic strain response and morphology of impact damage of the new pre-separation panel were measured in an impact damage ***,the commercial software LS-DYNA was used to calculate the propagation of the blast shock wave,and the results were compared with empirical equations to verify the rationality of the numerical calculation ***,the fluid–structure coupling method was used to calculate the damage process of the pre-separation panel structure under the impact of an explosion wave and an impact *** calculated results were in good agreement with the test results,which showed the rationality of the calculation method and the *** residual strength of the damaged pre-separation panel was significantly higher than that of the original damaged *** results show that the new pre-separation panel structure is reasonable and has certain significance for guiding the design of plenum chambers with strong resistance to implosion for aircraft fuselages.

关键词： Pre-separation panel structure Explosive response Residual strength Aircraft plenum chamber Least risk bomb location

Color-kinematics duality and dual conformal symmetry for a four-loop form factor in N=4 SYM

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Science China(Physics,Mechanics & Astronomy) 2024年第4期67卷 64-71页

作者： Guanda Lin gang yang Siyuan Zhang CAS Key Laboratory of Theoretical Physics Institute of Theoretical PhysicsChinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China School of Fundamental Physics and Mathematical Sciences Hangzhou Institute for Advanced StudyUCASHangzhou 310024China International Centre for Theoretical Physics Asia-Pacific Beijing/Hangzhou 310024China

We obtain the integrand of full-color four-loop three-point form factor of the stress-tensor supermultiplet in N=4 SYM,based on the color-kinematics(CK)duality and generalized unitarity *** result not only manifests all dual Jacobi relations via CK duality but also contains 133 free *** suggests the constructibility of the form factor at even higher loops via CK *** also find that the planar form factor has a hidden dual conformal symmetry in the lightlike limit of the operator momentum,which is checked up to four loops.

关键词： S-matrix supersymmetric model perturbative calculations

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APF-GAN:Exploring asymmetric pre-training and fine-tuning strategy for conditional generative adversarial network

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Computational Visual Media 2024年第1期10卷 187-192页

作者： Yuxuan Li Lingfeng yang xiang Li College of Computer Science Nankai UniversityTianjinChina School of Computer Science and Engineering Nanjing University of Science and TechnologyNanjingChina

The use of generative adversarial network(GAN)-based models for the conditional generation of image semantic segmentation has shown promising results in recent ***,there are still some limitations,including limited diversity of image style,distortion of detailed texture,unbalanced color tone,and lengthy training *** address these issues,we propose an asymmetric pre-training and fine-tuning(APF)-GAN model.

关键词： tuning network asymmetric

A Correlation-Based Stochastic Model for Massive MIMO Channel

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China Communications 2024年第1期21卷 175-187页

作者： yang Liu gang Li Chengxiang Wang National Mobile Communications Research Laboratory School of Information Science and EngineeringSoutheast UniversityNanjing 211189China School of Internet of Things Engineering Jiangnan UniversityWuxi 214122China Pervasive Communication Research Center Purple Mountain LaboratoriesNanjing 211111China

In this paper,the channel impulse response matrix(CIRM)can be expressed as a sum of couplings between the steering vectors at the base station(BS)and the eigenbases at the mobile station(MS).Nakagami distribution was used to describe the fading of the coupling between the steering vectors and the *** measurements were carried out to evaluate the performance of this proposed ***,the physical implications of this model were illustrated and the capacities are *** addition,the azimuthal power spectrum(APS)of several models was ***,the channel hardening effect was simulated and *** showed that the proposed model provides a better fit to the measured results than the other CBSM,i.e.,Weichselberger ***,the proposed model can provide better tradeoff between accuracy and complexity in channel *** CIRM model can be used for massive MIMO design in the future communication system design.

关键词： CBSM channel capacity channel hardening channel modeling massive MIMO

Research on human gait sensing based on triboelectric nanogenerator

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Nanotechnology and Precision Engineering 2024年第2期7卷 32-40页

作者： gang yang Lifang Wang Jiayun Tian School of Communication and Information Engineering Xi’an University of Posts and TelecommunicationsXi’an 710121China

To address the problem of frequent battery replacement for wearable sensors applied to fall detection among the elderly,a portable and lowcost triboelectric nanogenerator(TENG)-based self-powered sensor for human gait monitoring is *** main fabrication materials of the TENG are polytetrafluoroethylene(PTFE)film,aluminum(Al)foil,and polyimide(PI)film,where PTFE and Al are the friction layer materials and the PI film is used to improve the output *** the ability of TENGs to monitor changes in environmental conditions,a self-powered sensor based on the TENG is placed in an insole to collect gait *** a TENG does not require a power source to convert physical and mechanical signals into electrical signals,the electrical signals can be used as sensing signals to be analyzed by a computer to recognize daily human activities and fall *** results show that the accuracy of the TENG-based sensor for recognizing human gait is 97.2%,demonstrating superior sensing performance and providing valuable insights for future monitoring of fall events in the elderly population.

关键词： Triboelectric nanogenerator Sensor Gait monitoring

Insights on advanced substrates for controllable fabrication of photoanodes toward efficient and stable photoelectrochemical water splitting

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Carbon Energy 2024年第4期6卷 164-221页

作者： Huilin Hou gang Shao yang Wang Wai‐Yeung Wong Weiyou yang Institute of Micro/Nano Materials and Devices Ningbo University of TechnologyNingboChina School of Materials Science and Engineering Zhengzhou UniversityZhengzhouChina Department of Applied Biology and Chemical Technology and Research Institute for Smart Energy The Hong Kong Polytechnic UniversityHong KongChina

Conversion of solar energy into H_(2) by photoelectrochemical(PEC)water splitting is recognized as an ideal way to address the growing energy crisis and environmental *** a typical PEC cell,the construction of photoanodes is crucial to guarantee the high efficiency and stability of PEC reactions,which fundamentally rely on rationally designed semiconductors(as the active materials)and substrates(as the current collectors).In this review work,we start with a brief introduction of the roles of substrates in the PEC ***,we provide a systematic overview of representative strategies for the controlled fabrication of photoanodes on rationally designed substrates,including conductive glass,metal,sapphire,silicon,silicon carbide,and flexible ***,some prospects concerning the challenges and research directions in this area are proposed.

关键词： hydrogen photoanode photoelectrochemical substrates water splitting