Lithium-sulfur(Li-S)batteries with lithium sulfide(Li2S)as cathode have attracted great attention recently,because of high specific capacity(1166 mA h g^-1)of Li2S and potential safety of using Li metal-free anode.Li2...Lithium-sulfur(Li-S)batteries with lithium sulfide(Li2S)as cathode have attracted great attention recently,because of high specific capacity(1166 mA h g^-1)of Li2S and potential safety of using Li metal-free anode.Li2S cathode has lower volume expansion and higher thermal stability than the traditional sulfur cathode.However,the problems of"shuttle effect"and poor electrical conductivity of the cathode material still need to be overcome.In this work,multi-layered Ti3C2/Li2S(ML-Ti3C2/Li2S)composite has been prepared and applied as a cathode in advanced Li-S batteries.The unique multi-layer sheet structure of Ti3 C2 provides space for the storage of Li2S,and its good conductivity greatly enhances the usage ratio of Li2 S and improves the conductivity of the whole Li2S cathode.Compared with commonly used graphene,ML-Ti3C2 can trap polysulfides effectively by chemical adsorption and also activate the reaction of Li2S to polysulfides by forming Ti-S bond.As a result,during the cycling of the batteries with ML-Ti3C2/Li2S cathodes,the activation voltage barrier of the first cycle has decreased to 2.8 V,and the"shuttle effect"has been suppressed effectively.The cycling and rate performances of the ML-Ti3C2/Li2S cathodes have been significantly improved compared to that of graphene/Li2 S cathodes.They maintain a capacity of 450 mAh g^-1 at 0.2 C after 100 cycles,and deliver attractive rate performances of 750,630,540,470 and 360 mAh g^-1 at 0.1 C,0.2 C,0.5 C,1 C,and 2 C,respectively.展开更多
In this paper,we introduce different forms of mobility into a quantitative phase-field model to produce arbitrary Ehrlich-Schwoebel(ES)effects.Convergence studies were carried out in the one-side step-flow model,which...In this paper,we introduce different forms of mobility into a quantitative phase-field model to produce arbitrary Ehrlich-Schwoebel(ES)effects.Convergence studies were carried out in the one-side step-flow model,which showed that the original mobility not only induces the ES effect,but also leads to larger numerical instability with increase of the step width.Thus,another modified form of the ES barrier is proposed,and is found to be more suitable for large-scale simulations.Model applications were performed on the wedding-cake structure,coarsening and coalescence of islands and spiral growth.The results show that the ES barrier exhibits more significant kinetic effects at the larger deposition rates by limiting motions of atoms on upper steps,leading to aggregation on the top layers,as well as the roughening of growing surfaces.展开更多
The heteroepitaxial growth of multilayer Cu/Pd（100） thin film via pulse laser deposition （PLD） at room temperature is simulated by using kinetic Monte Carlo （KMC） method with realistic physical parameters. The e...The heteroepitaxial growth of multilayer Cu/Pd（100） thin film via pulse laser deposition （PLD） at room temperature is simulated by using kinetic Monte Carlo （KMC） method with realistic physical parameters. The effects of mass transport between interlayers, edge diffusion of adatoms along the islands and instantaneous deposition are considered in the simulation model, Emphasis is placed on revealing the details of multilayer Cu/Pd（100） thin film growth and estimating the Ehrlich-Schwoebel （ES） barrier. It is shown that the instantaneous deposition in the PLD growth gives rise to the layer-by-layer growth mode, persisting up to about 9 monolayers （ML） of Cu/Pd（100）. The ES barriers of 0.08 ± 0.01 eV is estimated by comparing the KMC simulation results with the real scanning tunnelling microscopy （STM） measurements,展开更多
The pulse thermography(PT) technique was applied to the detection of the delamination of a multi-layered coating system composed of mullite/Si onto a reaction-bonded Si C substrate. The potential evaluation was carrie...The pulse thermography(PT) technique was applied to the detection of the delamination of a multi-layered coating system composed of mullite/Si onto a reaction-bonded Si C substrate. The potential evaluation was carried out in order to detect internal delamination in multi-layered material system. Moreover, the observation of the cross sections and 3D views obtained by X-ray computed tomography(CT) indicated that the delamination occurred at the interface between the top coat and the bond coat layers. The changes in the temperature distribution obtained by PT indicated the existence of a delamination area in the top coat layer of the mullite. In particular, the lower temperature region corresponded to the delamination area. The experimental results confirmed that the PT technique is effective with respect to the internal delamination of multi-layered coating system.展开更多
基金financially supported by the National Natural Science Foundation of China(21606065,51372060,and 21676067)Anhui Provincial Natural Science Foundation(1708085QE98)+1 种基金the Fundamental Research Funds for the Central Universities(JZ2017HGTB0198,JZ2018HGBZ0138)the Opening Project of CAS Key Laboratory of Materials for Energy Conversion(KF2018003)
文摘Lithium-sulfur(Li-S)batteries with lithium sulfide(Li2S)as cathode have attracted great attention recently,because of high specific capacity(1166 mA h g^-1)of Li2S and potential safety of using Li metal-free anode.Li2S cathode has lower volume expansion and higher thermal stability than the traditional sulfur cathode.However,the problems of"shuttle effect"and poor electrical conductivity of the cathode material still need to be overcome.In this work,multi-layered Ti3C2/Li2S(ML-Ti3C2/Li2S)composite has been prepared and applied as a cathode in advanced Li-S batteries.The unique multi-layer sheet structure of Ti3 C2 provides space for the storage of Li2S,and its good conductivity greatly enhances the usage ratio of Li2 S and improves the conductivity of the whole Li2S cathode.Compared with commonly used graphene,ML-Ti3C2 can trap polysulfides effectively by chemical adsorption and also activate the reaction of Li2S to polysulfides by forming Ti-S bond.As a result,during the cycling of the batteries with ML-Ti3C2/Li2S cathodes,the activation voltage barrier of the first cycle has decreased to 2.8 V,and the"shuttle effect"has been suppressed effectively.The cycling and rate performances of the ML-Ti3C2/Li2S cathodes have been significantly improved compared to that of graphene/Li2 S cathodes.They maintain a capacity of 450 mAh g^-1 at 0.2 C after 100 cycles,and deliver attractive rate performances of 750,630,540,470 and 360 mAh g^-1 at 0.1 C,0.2 C,0.5 C,1 C,and 2 C,respectively.
基金The National Natural Science Foundation of China(Grant Nos.61078057,61471301,51172183,51402240 and 51471134)The NPU Foundation for Fundamental Research(Grant No.JC20120246)+2 种基金The National Science Foundation of Shaanxi Province,China(Grant No.2012JQ8013)The Doctorate Foundation of Northwestern Polytechnical University(Grant No.CX201325)The Specialized Research Fund for the Doctoral Program of Higher Education(Grant No.20126102110045)
文摘In this paper,we introduce different forms of mobility into a quantitative phase-field model to produce arbitrary Ehrlich-Schwoebel(ES)effects.Convergence studies were carried out in the one-side step-flow model,which showed that the original mobility not only induces the ES effect,but also leads to larger numerical instability with increase of the step width.Thus,another modified form of the ES barrier is proposed,and is found to be more suitable for large-scale simulations.Model applications were performed on the wedding-cake structure,coarsening and coalescence of islands and spiral growth.The results show that the ES barrier exhibits more significant kinetic effects at the larger deposition rates by limiting motions of atoms on upper steps,leading to aggregation on the top layers,as well as the roughening of growing surfaces.
基金Project supported by the State Key Development Program for Basic Research of China （Grant No 2006CB708612） and Natural Science Foundation for Young Scientists of Zhejiang Province, China （Grant No RC02069）.Acknowledgment We would like to thank Dr Ling-wang Wang of the Computational Research Division at the Lawrence Berkeley National Lab and Dr Xiangrong Ye of Department of Material Science and Chemical Engineering, University of California at San Diego for helpful discussion.
文摘The heteroepitaxial growth of multilayer Cu/Pd（100） thin film via pulse laser deposition （PLD） at room temperature is simulated by using kinetic Monte Carlo （KMC） method with realistic physical parameters. The effects of mass transport between interlayers, edge diffusion of adatoms along the islands and instantaneous deposition are considered in the simulation model, Emphasis is placed on revealing the details of multilayer Cu/Pd（100） thin film growth and estimating the Ehrlich-Schwoebel （ES） barrier. It is shown that the instantaneous deposition in the PLD growth gives rise to the layer-by-layer growth mode, persisting up to about 9 monolayers （ML） of Cu/Pd（100）. The ES barriers of 0.08 ± 0.01 eV is estimated by comparing the KMC simulation results with the real scanning tunnelling microscopy （STM） measurements,
文摘The pulse thermography(PT) technique was applied to the detection of the delamination of a multi-layered coating system composed of mullite/Si onto a reaction-bonded Si C substrate. The potential evaluation was carried out in order to detect internal delamination in multi-layered material system. Moreover, the observation of the cross sections and 3D views obtained by X-ray computed tomography(CT) indicated that the delamination occurred at the interface between the top coat and the bond coat layers. The changes in the temperature distribution obtained by PT indicated the existence of a delamination area in the top coat layer of the mullite. In particular, the lower temperature region corresponded to the delamination area. The experimental results confirmed that the PT technique is effective with respect to the internal delamination of multi-layered coating system.
