In light of the special need of nano-engineering, an ultra-large scale and high-performance molecular dynamics（MD） simulation program was implemented. In many nano-engineering processes, the free boundary condition ...In light of the special need of nano-engineering, an ultra-large scale and high-performance molecular dynamics（MD） simulation program was implemented. In many nano-engineering processes, the free boundary condition should be adopted. To meet this particular requirement, a pointer link and dynamic array data structures were employed so that both reliability and accuracy of simulation could be ensured. Using this method, one could realize the MD simulation of the nano-engineering system consisting of several million atoms per single CPU.展开更多
Lithium-rich oxide compounds have been recognized as promising cathode materials for high performance Li-ion batteries,owing to their high specific capacity.However,it remains a great challenge to achieve the fully re...Lithium-rich oxide compounds have been recognized as promising cathode materials for high performance Li-ion batteries,owing to their high specific capacity.However,it remains a great challenge to achieve the fully reversible anionic redox reactions to realize high capacity,high stability,and low voltage hysteresis for lithiumrich cathode materials.Therefore,it is critically important to comprehensively understand and control the anionic redox chemistry of lithium-rich cathode materials,including atomic structure design,and nano-scale materials engineering technologies.Herein,we summarize the recent research progress of lithium-rich cathode materials with a focus on redox chemistry.Particularly,we highlight the oxygen-based redox reactions in lithium-rich metal oxides,with critical views of designing next generation oxygen redox lithium cathode materials.Furthermore,we purposed the most promising strategies for improving the performances of lithium-rich cathode materials with a technology-spectrum from the atomic scale to nano-scale.展开更多
With rapid developments of nanoengineering in the recent years, highperformance and multi-functional nanomaterials, exhibiting new and enhanced physical and chemical properties, are introduced with innumerable conceiv...With rapid developments of nanoengineering in the recent years, highperformance and multi-functional nanomaterials, exhibiting new and enhanced physical and chemical properties, are introduced with innumerable conceivable applications. The recent advances in design, synthesis and characterization techniques of nano-materials have enabled the fabrication of modern nano-electromechanical systems (NEMS).展开更多
Aqueous Cu-S batteries(ACSBs)offer a promising energy storage solution by leveraging the unique redox properties of Cu^(2+)ions,enabling high theoretical capacities through a four-electron transfer reaction.These adva...Aqueous Cu-S batteries(ACSBs)offer a promising energy storage solution by leveraging the unique redox properties of Cu^(2+)ions,enabling high theoretical capacities through a four-electron transfer reaction.These advantages are coupled with inherent safety and low cost,making ACSBs a compelling alternative to traditional batteries.However,the practical application of ACSBs is hindered by the low conductivity of sulfur and the high energy barrier associated with phase transitions,which limit material utilization and reaction kinetics.Herein,we propose for the first time a multifunctional organic small-molecule polysulfide catalyst,Zn(phen)S_(6),and successfully convert them into nanocapsules that are homogeneously dispersed on the cathode surface,effectively increasing the catalytic active sites.Moreover,this complex undergoes reversible reactions during cycling,releasing zinc ions that form a dense protective layer on the anode during charging,effectively inhibiting dendrite growth.Meanwhile,Zn(phen)S_(6)interacts with Cu^(2+)ions to undergo an in-situ solid-state transformation into a novel catalyst,[Cu(phen)(H_(2)O)_(2)SO_(4)]_(n).This catalyst not only accelerates electron transfer but also serves as an ion transport channel,significantly boosting reaction kinetics.This battery demonstrates exceptional stability,retaining 97.7%of its initial capacity after 1200 cycles at a high current density of 10 A g^(-1).Furthermore,it maintains an impressive capacity of 1157 m Ah g^(-1)after 1600 cycles at 20 A g^(-1).This work provides pivotal insights into the design and application of molecular catalysts,opening new pathways for advancing Cu-S battery technologies.展开更多
This paper investigates the selective liquid response for Morpho didius butterfly wing scales and propose an optical model to explain the effect of different components on the liquid response. It is found out that the...This paper investigates the selective liquid response for Morpho didius butterfly wing scales and propose an optical model to explain the effect of different components on the liquid response. It is found out that the reason of the selective response is that the liquid media forms nanometre-thick films between ridge-lamellae nanostructures and changes the constructive interference wavelength. There is linear relation between the structural color of ridge-lamellae structure and index of liquid background media. The reason of vapor＇s responses is that the nanometre-thick liquid fi lms on ridge-lamellae nanostructures change the constructive interference wavelength. These liquid films are formed due to vapor adsorption. Therefore,the selective linear liquid response can be applied to design nano-engineered photonic liquid and vapor sensors.展开更多
Rapid progress in graphene-based applications is calling for new processing techniques for creating graphene components with different shapes,sizes,and edge structures.Here we report a controlled cutting process for g...Rapid progress in graphene-based applications is calling for new processing techniques for creating graphene components with different shapes,sizes,and edge structures.Here we report a controlled cutting process for graphene sheets,using nickel nanoparticles as a knife that cuts with nanoscale precision.The cutting proceeds via catalytic hydrogenation of the graphene lattice,and can generate graphene pieces with specifi c zigzag or armchair edges.The size of the nanoparticle dictates the edge structure that is produced during the cutting.The cutting occurs along straight lines and along symmetry lines,defined by angles of 60ºor 120º,and is defl ected at free edges or defects,allowing practical control of graphene nano-engineering.展开更多
基金the National Natural Science Foundation of China(Nos.20435010 and 20503012)Natural Science Founda-tion of Jiangsu Province, China(No.BK2005413)
文摘In light of the special need of nano-engineering, an ultra-large scale and high-performance molecular dynamics（MD） simulation program was implemented. In many nano-engineering processes, the free boundary condition should be adopted. To meet this particular requirement, a pointer link and dynamic array data structures were employed so that both reliability and accuracy of simulation could be ensured. Using this method, one could realize the MD simulation of the nano-engineering system consisting of several million atoms per single CPU.
基金financial support by the Australian Research Council(ARC)Discovery Project(DP200101249)。
文摘Lithium-rich oxide compounds have been recognized as promising cathode materials for high performance Li-ion batteries,owing to their high specific capacity.However,it remains a great challenge to achieve the fully reversible anionic redox reactions to realize high capacity,high stability,and low voltage hysteresis for lithiumrich cathode materials.Therefore,it is critically important to comprehensively understand and control the anionic redox chemistry of lithium-rich cathode materials,including atomic structure design,and nano-scale materials engineering technologies.Herein,we summarize the recent research progress of lithium-rich cathode materials with a focus on redox chemistry.Particularly,we highlight the oxygen-based redox reactions in lithium-rich metal oxides,with critical views of designing next generation oxygen redox lithium cathode materials.Furthermore,we purposed the most promising strategies for improving the performances of lithium-rich cathode materials with a technology-spectrum from the atomic scale to nano-scale.
文摘With rapid developments of nanoengineering in the recent years, highperformance and multi-functional nanomaterials, exhibiting new and enhanced physical and chemical properties, are introduced with innumerable conceivable applications. The recent advances in design, synthesis and characterization techniques of nano-materials have enabled the fabrication of modern nano-electromechanical systems (NEMS).
基金supported by the National Natural Science Foundation of China(Nos.21971221,21401162)the Natural Science Foundation of Jiangsu Province(BK20241930)+3 种基金the Yangzhou University Interdisciplinary Research Foundation for Chemistry Discipline(yzuxk202010)the Postgraduate Research&Practice Innovation Program of Jiangsu Province(grant number KYCX22_3467,KYCX24_3727)High-Level Entrepreneurial and Innovative Talents Program of Jiangsu’Qing Lan Project’in Colleges and Universities of Jiangsu Province。
文摘Aqueous Cu-S batteries(ACSBs)offer a promising energy storage solution by leveraging the unique redox properties of Cu^(2+)ions,enabling high theoretical capacities through a four-electron transfer reaction.These advantages are coupled with inherent safety and low cost,making ACSBs a compelling alternative to traditional batteries.However,the practical application of ACSBs is hindered by the low conductivity of sulfur and the high energy barrier associated with phase transitions,which limit material utilization and reaction kinetics.Herein,we propose for the first time a multifunctional organic small-molecule polysulfide catalyst,Zn(phen)S_(6),and successfully convert them into nanocapsules that are homogeneously dispersed on the cathode surface,effectively increasing the catalytic active sites.Moreover,this complex undergoes reversible reactions during cycling,releasing zinc ions that form a dense protective layer on the anode during charging,effectively inhibiting dendrite growth.Meanwhile,Zn(phen)S_(6)interacts with Cu^(2+)ions to undergo an in-situ solid-state transformation into a novel catalyst,[Cu(phen)(H_(2)O)_(2)SO_(4)]_(n).This catalyst not only accelerates electron transfer but also serves as an ion transport channel,significantly boosting reaction kinetics.This battery demonstrates exceptional stability,retaining 97.7%of its initial capacity after 1200 cycles at a high current density of 10 A g^(-1).Furthermore,it maintains an impressive capacity of 1157 m Ah g^(-1)after 1600 cycles at 20 A g^(-1).This work provides pivotal insights into the design and application of molecular catalysts,opening new pathways for advancing Cu-S battery technologies.
基金Supported by the National Natural Science Foundation of China(51305129)the Natural Science Foundation of Hubei Province(Q20151411)
文摘This paper investigates the selective liquid response for Morpho didius butterfly wing scales and propose an optical model to explain the effect of different components on the liquid response. It is found out that the reason of the selective response is that the liquid media forms nanometre-thick films between ridge-lamellae nanostructures and changes the constructive interference wavelength. There is linear relation between the structural color of ridge-lamellae structure and index of liquid background media. The reason of vapor＇s responses is that the nanometre-thick liquid fi lms on ridge-lamellae nanostructures change the constructive interference wavelength. These liquid films are formed due to vapor adsorption. Therefore,the selective linear liquid response can be applied to design nano-engineered photonic liquid and vapor sensors.
文摘Rapid progress in graphene-based applications is calling for new processing techniques for creating graphene components with different shapes,sizes,and edge structures.Here we report a controlled cutting process for graphene sheets,using nickel nanoparticles as a knife that cuts with nanoscale precision.The cutting proceeds via catalytic hydrogenation of the graphene lattice,and can generate graphene pieces with specifi c zigzag or armchair edges.The size of the nanoparticle dictates the edge structure that is produced during the cutting.The cutting occurs along straight lines and along symmetry lines,defined by angles of 60ºor 120º,and is defl ected at free edges or defects,allowing practical control of graphene nano-engineering.
