Titanium based IrO2 +Ta2O5 oxide anodes with different compositions and pyrolysis temperatures were prepared by termodecompoisition method. By using X-ray diffraction (XRD), the structure and texture coefficient of th...Titanium based IrO2 +Ta2O5 oxide anodes with different compositions and pyrolysis temperatures were prepared by termodecompoisition method. By using X-ray diffraction (XRD), the structure and texture coefficient of the coatings, TC(hkl), of IrO2 rutile crystal have been tested. It showed that, the crystallization processes of IrO2 and Ta2O5 in xIrO2 +(100-x) Ta2 O5 (x is in mol%) films affected and confined each other.In the mixed system, IrO2 rutile phase existed as a solid solution with Ta, and attained the maximum solubility when x=70mol%, i.e. for the coating of 70% IrO2 +Ta2O5.For the coatings of low iridium content or at low preparing tem pemture, (110) and (101) pwtered orientations were dominant. However, preferred growth of IrO2 weakened with increasing either iridium content or temperature. Three typical surface morphologies were observed by using scanning electron tnicroscopy(SEM). The crystallite size of the mixed oxide coatings were finest for the the film of 70%IrO2 +30%Ta2O5,and decreased with the pyrolysis tempemture. As the results of the finest crystallite segregating on sudece and the maxitnum solid solubility of Ir and Ta component in deposits, the coatings with the composition of 70%IrO2 +Ta2O5 prepared at 450℃ presented the mdrimutn electrocatalgtic activitg for O2 evolution in 0. 5M H2SO4 solution.UP to 550℃, Ti base suffered to oxidation resulting in decreasing anode conductivity,therefore, coatings performed a low activity.展开更多
The preparation process and properties of the thermally prepared Ti anodes coated with IrO2+Ta2O5 was studied. The structure and morphologies of the IrO2+Ta2O5 coatings were determined by XRD and SEM. Their electroche...The preparation process and properties of the thermally prepared Ti anodes coated with IrO2+Ta2O5 was studied. The structure and morphologies of the IrO2+Ta2O5 coatings were determined by XRD and SEM. Their electrochemical properties were studied by polarization curve and cyclic voltammetry. Trivalent chromium electroplating using Ti/IrO2+Ta2O5 anodes is carried out and the results were analyzed. Results show that this anode exhibits excellent electrochemical activity and stability in sulfate electrolysis. The electrocatalytic activity is determined not only by the content of IrO2 but also the structure and morphology of the anode coatings. The electroplating results indicats that Ti/IrO2+Ta2O5 anodes have excellent capabilities and merits in improving the stability of trivalent chromium electroplating in sulfate system.展开更多
A Schiff base(a compound containing a C=N bond)induced anodic Ca−P coating was prepared on AZ31 Mg alloy in a mixed solution of CaCl_(2) and KH_(2)PO_(4) at 60℃ in the presence of glucose and L-cysteine.The microstru...A Schiff base(a compound containing a C=N bond)induced anodic Ca−P coating was prepared on AZ31 Mg alloy in a mixed solution of CaCl_(2) and KH_(2)PO_(4) at 60℃ in the presence of glucose and L-cysteine.The microstructure and chemical composition of the coatings were characterized using FE-SEM,FT-IR,XRD,and XPS.The in vitro degradation resistance of the coated samples was evaluated via potentiodynamic polarization(PDP),electrochemical impedance spectroscopy(EIS),and hydrogen evolution test.The experimental results show that the Ca−PSchiff base coating is composed of CaHPO_(4)(DCPA)and hydroxyapatite(HA),whereas HA is not present in the Ca−P coating.The Ca−P_(Schiff base) coating thickness is about 2 times that of Ca−P coating(Ca−P coating:(9.13±4.20)μm and Ca−P_(Schiff base):(18.13±5.78)μm).The corrosion current density of the Ca−P_(Schiff base) coating is two orders of magnitude lower than that of the Ca−P coating.The formation mechanism of the Ca−P_(Schiff base) is proposed.展开更多
Ti6Al4V substrates were anodized in a 0.5 mol/L H_2SO_4 solution at applied voltages of 90-140 V.A hydroxyapatite-titanium oxide(HA-TiO2)coating was then deposited on the anodized Ti6Al4 V substrates via a hydrother...Ti6Al4V substrates were anodized in a 0.5 mol/L H_2SO_4 solution at applied voltages of 90-140 V.A hydroxyapatite-titanium oxide(HA-TiO2)coating was then deposited on the anodized Ti6Al4 V substrates via a hydrothermal-electrochemicalmethod at a constant current.The obtained films and coatings were characterized by X-ray diffraction,scanning electron microscopy,energy-dispersive X-ray spectroscopy,and Fourier-transform infrared spectrometry.The microstructures of the porous films on the Ti6Al4 V substrates were studied to investigate the effect of the anodizing voltage on the phase and morphology of the HATiO_2 coating.The results indicated that both the phase composition and the morphology of the coatings were significantly influenced by changes in the anodizing voltage.HA-TiO_2 was directly precipitated onto the surface of the substrate when the applied voltage was between 110 and 140 V.The coatings had a gradient structure and the HA exhibited both needle-like and cotton-like structures.The amount of cotton-like HA structures decreased with an increase in voltage from 90 to 120 V,and then increased slightly when the voltage was higher than 120 V.The orientation index of the(002)plane of the coating was at a minimum when the Ti6Al4 V substrate was pretreated at 120 V.展开更多
The properties of Al/conductive coating/α-PbO2-CeO2-TiO2/β-PbO2-WC-ZrO2 composite anode for zinc electrowinning were investigated. The electrochemical performance was studied by Tafel polarization curves(Tafel), e...The properties of Al/conductive coating/α-PbO2-CeO2-TiO2/β-PbO2-WC-ZrO2 composite anode for zinc electrowinning were investigated. The electrochemical performance was studied by Tafel polarization curves(Tafel), electrochemical impedance spectroscopy(EIS) and corrosion rate obtained in an acidic zinc sulfate electrolyte solution. Scanning electron microscopy(SEM), X-ray diffraction(XRD), and energy dispersive X-ray spectroscopy(EDXS) were used to observe the microstructural features of coating. Anodes of Al/conductive coating/α-PbO2-CeO2-TiO2/β-PbO2, Al/conductive coating/α-PbO2-CeO2-TiO2/β-PbO2-WC, Al/conductive coating/α-PbO2-CeO2-TiO2/β-PbO2-ZrO2, and Pb-1%Ag anodes were also researched. The results indicated that the Al/conductive coating/α-PbO2-CeO2-TiO2/β-PbO2-WC-ZrO2 showed the best catalytic activity and corrosion resistant performance; the intensity of diffraction peak exhibited the highest value as well as a new PbWO4 phase; the content of WC and ZrO2 in coating showed the highest value as well as the finest grain size.展开更多
The anti passivation effect of metal oxide anode coating doped with rare earth element Eu was discussed. The morphology and the composition distribution of the metal oxide coating anode before and after electrolysis w...The anti passivation effect of metal oxide anode coating doped with rare earth element Eu was discussed. The morphology and the composition distribution of the metal oxide coating anode before and after electrolysis were studied by SEM and EDX analyses. The results show that the erosion of the electrolyte at the defects is the main cause for the failure of the coating. The erosion rate of the electrolyte is anisotropic. In area with high density of defects, the erosion rate is very fast and the failure of the coating is very quick. Moreover, the life time of the coating is prolonged by the doping of Eu. [展开更多
In order to improve the adhesion of the middle frequency magnetic sputtered zirconium coating on a polyurethane film,an anode layer source was used to pretreat the polyurethane film with nitrogen and oxygen ions.SEMs ...In order to improve the adhesion of the middle frequency magnetic sputtered zirconium coating on a polyurethane film,an anode layer source was used to pretreat the polyurethane film with nitrogen and oxygen ions.SEMs and AFM roughness profiles of treated samples and the contrast groups were obtained.Besides,XPS survey spectrums and high resolution spectrums were also investigated.The adhesion test revealed that ion bombardment could improve the adhesion to the polyurethane coating substrate.A better etching result of oxygen ions versus nitrogen predicts a higher bonding strength of zirconium coating on polyurethane and,indeed,the highest bonding strengths are for oxygen ion bombardment upto 13.3 MPa.As demonstrated in X-ray photoelectron spectroscopy,the oxygen ion also helps to introduce more active groups,and,therefore,it achieves a high value of adhesion strength.展开更多
The catalytic performance of two oxides coated anodes (OCSs) meshes and one OCA plate was investigated in a zinc electrowinning electrolyte at 38 ℃. Their electrochemical behaviors were compared with that of a conv...The catalytic performance of two oxides coated anodes (OCSs) meshes and one OCA plate was investigated in a zinc electrowinning electrolyte at 38 ℃. Their electrochemical behaviors were compared with that of a conventional Pb-0.7%Ag alloy anode. Electrochemical measurements such as cyclic voltammetric, galvanostatic, potentiodynamic, open-circuit potential (OCP) and in situ electrochemical noise measurements were considered. After 2 h of OCP test, the linear polarization shows that the corrosion current density of the Ti/(IrO2-Ta2O5) mesh electrode is the lowest (3.37μA/cm^2) among the three OCAs and shows excellent performance. Additionally, after 24 h of galvanostatic polarization at 50 mA/cm^2and 38 ℃, the Ti/MnO2mesh anode has the highest potential (1.799 V), followed by the Ti/(IrO2-Ta2O5) plate (1.775 V) and Ti/(IrO2-Ta2O5) mesh (1.705 V) anodes. After 24 h of galvanostatic polarization followed by 16 h of decay, the linear polarization method confirms the sequence obtained after 2 h of OCP test, and the Ti/(IrO2-Ta2O5) mesh attains the lowest corrosion current density. The Ti/(IrO2-Ta2O5) mesh anode also shows better performance after 24 h of galvanostatic polarization with the overpotential lower than that of the conventional Pb-Ag anode by about 245 mV.展开更多
As anode materials for lithium-ion batteries, SiO2 is of great interest because of its high capacity, low cost and environmental affinity. A facile approach has been developed to fabricate SiO2@C hollow spheres by hyd...As anode materials for lithium-ion batteries, SiO2 is of great interest because of its high capacity, low cost and environmental affinity. A facile approach has been developed to fabricate SiO2@C hollow spheres by hydrolysis of tetraethyl orthosilicate(TEOS) to form SiO2 shells on organic sphere templates followed by calcinations in air to remove the templates, and then the SiO2 shells are covered by carbon layers.Electron microscopy investigations confirm hollow structure of the SiO2@C. The SiO2@C hollow spheres with different SiO2 contents display gradual increase in specific capacity with discharge/charge cycling,among which the SiO2@C with SiO2 content of 67 wt% exhibits discharge/charge capacities of 653.4/649.6 mAh g^(-1) over 160 cycles at current density of 0.11 mA cm^(-2). The impedance fitting of the electrochemical impedance spectroscopy shows that the SiO2@C with SiO2 content of 67 wt% has the lowest charge transfer resistance, which indicates that the SiO2@C hollow spheres is promising anode candidate for lithium-ion batteries.展开更多
Rational designing and controlling of nanostructures is a key factor in realizing appropriate properties required for the high-performance energy fields. In the present study, hollow Sn O2@C nanoparticles(NPs) with ...Rational designing and controlling of nanostructures is a key factor in realizing appropriate properties required for the high-performance energy fields. In the present study, hollow Sn O2@C nanoparticles(NPs) with a mean size of 50 nm have been synthesized in large-scale via a facile hydrothermal approach.The morphology and composition of as-obtained products were studied by various characterized techniques. As an anode material for lithium ion batteries(LIBs), the as-prepared hollow Sn O2@C NPs exhibit significant improvement in cycle performances. The discharge capacity of lithium battery is as high as 370 m Ah g 1, and the current density is 3910 m A g 1(5 C) after 573 cycles. Furthermore, the capacity recovers up to 1100 m Ah g 1at the rate performances in which the current density is recovered to 156.4 m A g 1(0.2 C). Undoubtedly, sub-100 nm Sn O2@C NPs provide significant improvement to the electrochemical performance of LIBs as superior-anode nanomaterials, and this carbon coating strategy can pave the way for developing high-performance LIBs.展开更多
The application of silicon as ultrahigh capacity electrodes in lithiumion batteries has been limited by a number of mechanical degradation mechanisms including fracture, delamination and plastic ratcheting, as a resul...The application of silicon as ultrahigh capacity electrodes in lithiumion batteries has been limited by a number of mechanical degradation mechanisms including fracture, delamination and plastic ratcheting, as a result of its large volumetric change during lithiation and delithiation. Graphene coating is one feasible technique to mitigate the mechanical degradation of Si anode and improve its conductivity. In this paper, first-principles calculations are performed to study the atomic structure, charge transfer and sliding strength of the interface between lithiated silicon and graphene. Our results show that Li atoms segre- gate at the (lithiated) Si-graphene interface preferentially, donating electrons to graphene and enhancing the interfacial sliding resistance. Moreover, the interfacial cohesion and sliding strength can be further enhanced by introducing single-vacancy defects into graphene. These findings provide insights that can guide the design of stable and efficient anodes of silicon/graphene hybrids for energy storage applications.展开更多
文摘Titanium based IrO2 +Ta2O5 oxide anodes with different compositions and pyrolysis temperatures were prepared by termodecompoisition method. By using X-ray diffraction (XRD), the structure and texture coefficient of the coatings, TC(hkl), of IrO2 rutile crystal have been tested. It showed that, the crystallization processes of IrO2 and Ta2O5 in xIrO2 +(100-x) Ta2 O5 (x is in mol%) films affected and confined each other.In the mixed system, IrO2 rutile phase existed as a solid solution with Ta, and attained the maximum solubility when x=70mol%, i.e. for the coating of 70% IrO2 +Ta2O5.For the coatings of low iridium content or at low preparing tem pemture, (110) and (101) pwtered orientations were dominant. However, preferred growth of IrO2 weakened with increasing either iridium content or temperature. Three typical surface morphologies were observed by using scanning electron tnicroscopy(SEM). The crystallite size of the mixed oxide coatings were finest for the the film of 70%IrO2 +30%Ta2O5,and decreased with the pyrolysis tempemture. As the results of the finest crystallite segregating on sudece and the maxitnum solid solubility of Ir and Ta component in deposits, the coatings with the composition of 70%IrO2 +Ta2O5 prepared at 450℃ presented the mdrimutn electrocatalgtic activitg for O2 evolution in 0. 5M H2SO4 solution.UP to 550℃, Ti base suffered to oxidation resulting in decreasing anode conductivity,therefore, coatings performed a low activity.
文摘The preparation process and properties of the thermally prepared Ti anodes coated with IrO2+Ta2O5 was studied. The structure and morphologies of the IrO2+Ta2O5 coatings were determined by XRD and SEM. Their electrochemical properties were studied by polarization curve and cyclic voltammetry. Trivalent chromium electroplating using Ti/IrO2+Ta2O5 anodes is carried out and the results were analyzed. Results show that this anode exhibits excellent electrochemical activity and stability in sulfate electrolysis. The electrocatalytic activity is determined not only by the content of IrO2 but also the structure and morphology of the anode coatings. The electroplating results indicats that Ti/IrO2+Ta2O5 anodes have excellent capabilities and merits in improving the stability of trivalent chromium electroplating in sulfate system.
基金supported by the National Natural Science Foundation of China(No.52071191)the Open Foundation of Hubei Key Laboratory of Advanced Technology for Automotive Components,China(No.XDQCKF2021006)。
文摘A Schiff base(a compound containing a C=N bond)induced anodic Ca−P coating was prepared on AZ31 Mg alloy in a mixed solution of CaCl_(2) and KH_(2)PO_(4) at 60℃ in the presence of glucose and L-cysteine.The microstructure and chemical composition of the coatings were characterized using FE-SEM,FT-IR,XRD,and XPS.The in vitro degradation resistance of the coated samples was evaluated via potentiodynamic polarization(PDP),electrochemical impedance spectroscopy(EIS),and hydrogen evolution test.The experimental results show that the Ca−PSchiff base coating is composed of CaHPO_(4)(DCPA)and hydroxyapatite(HA),whereas HA is not present in the Ca−P coating.The Ca−P_(Schiff base) coating thickness is about 2 times that of Ca−P coating(Ca−P coating:(9.13±4.20)μm and Ca−P_(Schiff base):(18.13±5.78)μm).The corrosion current density of the Ca−P_(Schiff base) coating is two orders of magnitude lower than that of the Ca−P coating.The formation mechanism of the Ca−P_(Schiff base) is proposed.
基金Funded in part by the Key Laboratory of Inorginic Coating MaterialsChinese Academy of Sciences(No.KLICM-2014-11)the Shanghai Municipal Natural Science Foundation Sponsored by Shanghai Municipal Science and Technology Commissions(No.15ZR1428300)
文摘Ti6Al4V substrates were anodized in a 0.5 mol/L H_2SO_4 solution at applied voltages of 90-140 V.A hydroxyapatite-titanium oxide(HA-TiO2)coating was then deposited on the anodized Ti6Al4 V substrates via a hydrothermal-electrochemicalmethod at a constant current.The obtained films and coatings were characterized by X-ray diffraction,scanning electron microscopy,energy-dispersive X-ray spectroscopy,and Fourier-transform infrared spectrometry.The microstructures of the porous films on the Ti6Al4 V substrates were studied to investigate the effect of the anodizing voltage on the phase and morphology of the HATiO_2 coating.The results indicated that both the phase composition and the morphology of the coatings were significantly influenced by changes in the anodizing voltage.HA-TiO_2 was directly precipitated onto the surface of the substrate when the applied voltage was between 110 and 140 V.The coatings had a gradient structure and the HA exhibited both needle-like and cotton-like structures.The amount of cotton-like HA structures decreased with an increase in voltage from 90 to 120 V,and then increased slightly when the voltage was higher than 120 V.The orientation index of the(002)plane of the coating was at a minimum when the Ti6Al4 V substrate was pretreated at 120 V.
基金Funded by the National Natural Science Foundation of China(Nos.51564029,51504111,51504231,51364019)the Key Project of Yunnan Province Applied Basic Research Plan of China(No.2014FA024)
文摘The properties of Al/conductive coating/α-PbO2-CeO2-TiO2/β-PbO2-WC-ZrO2 composite anode for zinc electrowinning were investigated. The electrochemical performance was studied by Tafel polarization curves(Tafel), electrochemical impedance spectroscopy(EIS) and corrosion rate obtained in an acidic zinc sulfate electrolyte solution. Scanning electron microscopy(SEM), X-ray diffraction(XRD), and energy dispersive X-ray spectroscopy(EDXS) were used to observe the microstructural features of coating. Anodes of Al/conductive coating/α-PbO2-CeO2-TiO2/β-PbO2, Al/conductive coating/α-PbO2-CeO2-TiO2/β-PbO2-WC, Al/conductive coating/α-PbO2-CeO2-TiO2/β-PbO2-ZrO2, and Pb-1%Ag anodes were also researched. The results indicated that the Al/conductive coating/α-PbO2-CeO2-TiO2/β-PbO2-WC-ZrO2 showed the best catalytic activity and corrosion resistant performance; the intensity of diffraction peak exhibited the highest value as well as a new PbWO4 phase; the content of WC and ZrO2 in coating showed the highest value as well as the finest grain size.
基金Project(59804008)supported by the National Natural Science Foundation of China
文摘The anti passivation effect of metal oxide anode coating doped with rare earth element Eu was discussed. The morphology and the composition distribution of the metal oxide coating anode before and after electrolysis were studied by SEM and EDX analyses. The results show that the erosion of the electrolyte at the defects is the main cause for the failure of the coating. The erosion rate of the electrolyte is anisotropic. In area with high density of defects, the erosion rate is very fast and the failure of the coating is very quick. Moreover, the life time of the coating is prolonged by the doping of Eu. [
文摘In order to improve the adhesion of the middle frequency magnetic sputtered zirconium coating on a polyurethane film,an anode layer source was used to pretreat the polyurethane film with nitrogen and oxygen ions.SEMs and AFM roughness profiles of treated samples and the contrast groups were obtained.Besides,XPS survey spectrums and high resolution spectrums were also investigated.The adhesion test revealed that ion bombardment could improve the adhesion to the polyurethane coating substrate.A better etching result of oxygen ions versus nitrogen predicts a higher bonding strength of zirconium coating on polyurethane and,indeed,the highest bonding strengths are for oxygen ion bombardment upto 13.3 MPa.As demonstrated in X-ray photoelectron spectroscopy,the oxygen ion also helps to introduce more active groups,and,therefore,it achieves a high value of adhesion strength.
基金Project(RDCPJ 428402)supported by the Natural Sciences and Engineering Research Council of Canada
文摘The catalytic performance of two oxides coated anodes (OCSs) meshes and one OCA plate was investigated in a zinc electrowinning electrolyte at 38 ℃. Their electrochemical behaviors were compared with that of a conventional Pb-0.7%Ag alloy anode. Electrochemical measurements such as cyclic voltammetric, galvanostatic, potentiodynamic, open-circuit potential (OCP) and in situ electrochemical noise measurements were considered. After 2 h of OCP test, the linear polarization shows that the corrosion current density of the Ti/(IrO2-Ta2O5) mesh electrode is the lowest (3.37μA/cm^2) among the three OCAs and shows excellent performance. Additionally, after 24 h of galvanostatic polarization at 50 mA/cm^2and 38 ℃, the Ti/MnO2mesh anode has the highest potential (1.799 V), followed by the Ti/(IrO2-Ta2O5) plate (1.775 V) and Ti/(IrO2-Ta2O5) mesh (1.705 V) anodes. After 24 h of galvanostatic polarization followed by 16 h of decay, the linear polarization method confirms the sequence obtained after 2 h of OCP test, and the Ti/(IrO2-Ta2O5) mesh attains the lowest corrosion current density. The Ti/(IrO2-Ta2O5) mesh anode also shows better performance after 24 h of galvanostatic polarization with the overpotential lower than that of the conventional Pb-Ag anode by about 245 mV.
基金supported by the National Natural Science Foundation of China (Grant No. 51472083)
文摘As anode materials for lithium-ion batteries, SiO2 is of great interest because of its high capacity, low cost and environmental affinity. A facile approach has been developed to fabricate SiO2@C hollow spheres by hydrolysis of tetraethyl orthosilicate(TEOS) to form SiO2 shells on organic sphere templates followed by calcinations in air to remove the templates, and then the SiO2 shells are covered by carbon layers.Electron microscopy investigations confirm hollow structure of the SiO2@C. The SiO2@C hollow spheres with different SiO2 contents display gradual increase in specific capacity with discharge/charge cycling,among which the SiO2@C with SiO2 content of 67 wt% exhibits discharge/charge capacities of 653.4/649.6 mAh g^(-1) over 160 cycles at current density of 0.11 mA cm^(-2). The impedance fitting of the electrochemical impedance spectroscopy shows that the SiO2@C with SiO2 content of 67 wt% has the lowest charge transfer resistance, which indicates that the SiO2@C hollow spheres is promising anode candidate for lithium-ion batteries.
基金the Program for the NSFC (Nos. 51302325, 51201115, 51471121)New Century Excellent Talents in University (No. NCET-12-0553)+4 种基金Program for Shenghua Overseas Talent (No. 1681-7607030005) from Central South UniversityHubei Provincial Natural Science Foundation (No. 2014CFB261)the partial financial support from the Open-End Fund for the Valuable and Precision Instruments of Central South University (No. CSUZC2014032)Fundamental Research Funds for the Central Universities (No. 2042015kf0184)Wuhan University
文摘Rational designing and controlling of nanostructures is a key factor in realizing appropriate properties required for the high-performance energy fields. In the present study, hollow Sn O2@C nanoparticles(NPs) with a mean size of 50 nm have been synthesized in large-scale via a facile hydrothermal approach.The morphology and composition of as-obtained products were studied by various characterized techniques. As an anode material for lithium ion batteries(LIBs), the as-prepared hollow Sn O2@C NPs exhibit significant improvement in cycle performances. The discharge capacity of lithium battery is as high as 370 m Ah g 1, and the current density is 3910 m A g 1(5 C) after 573 cycles. Furthermore, the capacity recovers up to 1100 m Ah g 1at the rate performances in which the current density is recovered to 156.4 m A g 1(0.2 C). Undoubtedly, sub-100 nm Sn O2@C NPs provide significant improvement to the electrochemical performance of LIBs as superior-anode nanomaterials, and this carbon coating strategy can pave the way for developing high-performance LIBs.
基金support by U.S. Department of Energy through DOE EPSCo R Implementation Grant No. DESC0007074by the Assistant Secretary for Energy Efficiency and Renewable Energy, Vehicle Technologies Office of the U.S. Department of Energy under Contract No. DE-AC0205CH11231+2 种基金Subcontract No 7056410 under the Batteries for Advanced Transportation Technologies (BATT) Programfinancial support from the State Key Laboratory of Mechanics and Control of Mechanical Structures, Nanjing University of Aeronautics and Astronautics, through Grant No. MCMS-0414G01financial support from the National Basic Research of China through Grant No. 2015CB932500.
文摘The application of silicon as ultrahigh capacity electrodes in lithiumion batteries has been limited by a number of mechanical degradation mechanisms including fracture, delamination and plastic ratcheting, as a result of its large volumetric change during lithiation and delithiation. Graphene coating is one feasible technique to mitigate the mechanical degradation of Si anode and improve its conductivity. In this paper, first-principles calculations are performed to study the atomic structure, charge transfer and sliding strength of the interface between lithiated silicon and graphene. Our results show that Li atoms segre- gate at the (lithiated) Si-graphene interface preferentially, donating electrons to graphene and enhancing the interfacial sliding resistance. Moreover, the interfacial cohesion and sliding strength can be further enhanced by introducing single-vacancy defects into graphene. These findings provide insights that can guide the design of stable and efficient anodes of silicon/graphene hybrids for energy storage applications.