The dielectric ceramics with a main crystal phase of MgTiO 3 and additional crystal phase of CaTiO 3 were prepared by the conventional electronic ceramics technology. The structures of MgTiO 3 are ilmenite-type, an...The dielectric ceramics with a main crystal phase of MgTiO 3 and additional crystal phase of CaTiO 3 were prepared by the conventional electronic ceramics technology. The structures of MgTiO 3 are ilmenite-type, and belong to hexagonal syngony. The ratio of MgTiO 3 to CaTiO 3 can be adjusted to gain a zero temperature coefficient of ε r and a higher ε r for the system. The effects of B 2O 3 doping on the dielectric properties of MgTiO 3-CaTiO 3 (MCT) ceramics were investigated. The addition of B 2O 3 decreases the sintering temperature and results in rapid densification without obvious negative effect on the Q values of the system (Q=1/tan δ). B 2O 3 exists as liquid phase in the sintering process, promoting the reactions as a sintering agent.展开更多
By using the first-principles calculations, the electronic Structure and quantum transport properties of metallic carbon nanotubes with B/N pairs co-doping have been investigated. It is shown that the total energies o...By using the first-principles calculations, the electronic Structure and quantum transport properties of metallic carbon nanotubes with B/N pairs co-doping have been investigated. It is shown that the total energies of metallic carbon nanotubes are sensitive to the doping sites of the B/N pairs. The energy gaps of the doped metallic carbon nanotubes decrease with decreasing the concentration of the B/N pair not only along the tube axis but also around the tube. Moreover, the I-V characteristics and transmissions of the doped tubes are studied. Our results reveal that the conducting ability of the doped tube decreases with increasing the concentrations of the B/N pairs due to symmetry breaking of the system. This fact opens a new way to modulate band structures of metallic carbon nanotubes by doping B/N pair with suitable concentration and the novel characteristics are potentially useful in future applications.展开更多
The realization of high‐efficiency,reversible,stable,and safe Li‐O2 batteries is severely hindered by the large overpotential and side reactions,especially at high rate conditions.Therefore,rational design of cathod...The realization of high‐efficiency,reversible,stable,and safe Li‐O2 batteries is severely hindered by the large overpotential and side reactions,especially at high rate conditions.Therefore,rational design of cathode catalysts with high activity and stability is crucial to overcome the terrible issues at high current density.Herein,we report a surface engineering strategy to adjust the surface electron structure of boron(B)‐doped PtNi nanoalloy on carbon nanotubes(PtNiB@CNTs)as an efficient bifunctional cathodic catalyst for high‐rate and long‐life Li‐O2 batteries.Notably,the Li‐O2 batteries assembled with as‐prepared PtNiB@CNT catalyst exhibit ultrahigh discharge capacity of 20510 mA·h/g and extremely low overpotential of 0.48 V at a high current density of 1000 mA/g,both of which outperform the most reported Pt‐based catalysts recently.Meanwhile,our Li‐O2 batteries offer excellent rate capability and ultra‐long cycling life of up to 210 cycles at 1000 mA/g under a fixed capacity of 1000 mA·h/g,which is two times longer than those of Pt@CNTs and PtNi@CNTs.Furthermore,it is revealed that surface engineering of PtNi nanoalloy via B doping can efficiently tailor the electron structure of nanoalloy and optimize the adsorption of oxygen species,consequently delivering excellent Li‐O2 battery performance.Therefore,this strategy of regulating the nanoalloy by doping nonmetallic elements will pave an avenue for the design of high‐performance catalysts for metal‐oxygen batteries.展开更多
As the era of nanoelectronics is dawning,CNT(carbon nanotube),a one-dimensional nano material with outstanding properties and performances,has aroused wide attention.In order to study its optical and electrical prop...As the era of nanoelectronics is dawning,CNT(carbon nanotube),a one-dimensional nano material with outstanding properties and performances,has aroused wide attention.In order to study its optical and electrical properties,this paper has researched the influence of tension-twisting deformation,defects,and mixed type on the electronic structure and optical properties of the armchair carbon nanotube superlattices doped cyclic alternately with B and N by using the first-principle method.Our findings show that if tension-twisting deformation is conducted,then the geometric structure,bond length,binding energy,band gap and optical properties of B,N doped carbon nanotube superlattices with defects and mixed type will be influenced.As the degree of exerted tension-twisting deformation increases,B,N doped carbon nanotube superlattices become less stable,and B,N doped carbon nanotube superlattices with defects are more stable than that with exerted tension-twisting deformations.Proper tension-twisting deformation can adjust the energy gap of the system;defects can only reduce the energy gap,enhancing the system metallicity;while the mixed type of 5%tension,twisting angle of 15° and atomic defects will significantly increase the energy gap of the system.From the perspective of optical properties,doped carbon nanotubes may transform the system from metallicity into semi-conductivity.展开更多
TiO2 films have received increasing attention for the removal of organic pollutants via photocatalysis. To develop a simple and effective method for improving the photodegradation efficiency of pollutants in surface w...TiO2 films have received increasing attention for the removal of organic pollutants via photocatalysis. To develop a simple and effective method for improving the photodegradation efficiency of pollutants in surface water, we herein examined the preparation of a P25-TiO2 composite film on a cement substrate via a sol–gel method. In this case, Rhodamine B(Rh B)was employed as the target organic pollutant. The self-generated TiO2 film and the P25-TiO2 composite film were characterized by X-ray diffraction(XRD), N2 adsorption/desorption measurements, scanning electron microscopy(SEM), transmission electron microscopy(TEM), and diffuse reflectance spectroscopy(DRS). The photodegradation efficiencies of the two films were studied by Rh B removal in water under UV(ultraviolet) irradiation. Over 4 day exposure, the P25-TiO2 composite film exhibited higher photocatalytic performance than the self-generated TiO2 film. The photodegradation rate indicated that the efficiency of the P25-TiO2 composite film was enhanced by the addition of the rutile phase Degussa P25 powder. As such, cooperation between the anatase TiO2 and rutile P25 nanoparticles was beneficial for separation of the photo-induced electrons and holes. In addition, the influence of P25 doping on the P25-TiO2 composite films was evaluated. We found that up to a certain saturation point, increased doping enhanced the photodegradation ability of the composite film. Thus, we herein demonstrated that the doping of P25 powders is a simple but effective strategy to prepare a P25-TiO2 composite film on a cement substrate, and the resulting film exhibits excellent removal efficiency in the degradation of organic pollutants.展开更多
The extended cycle life of cells is often sacrificed at the expense of high specific energy for high-nickel materials.Cation doping is a promising method to build high-nickel cathode with high energy density and long ...The extended cycle life of cells is often sacrificed at the expense of high specific energy for high-nickel materials.Cation doping is a promising method to build high-nickel cathode with high energy density and long cycle life.Herein,a trace amount of Mg-B co-doping in LiNi_(0.6)Mn_(0.2)Co_(0.2)O_2(NMC622)is investigated in this work,which shows improved structural and electrochemical stability of 1%Mg-0.5%B co-doped material at both 30 and 55℃in coin-cell.Comprehensive chemical composition,structural,and surface analysis are carried out in this paper.It was found that all the selected materials have a similar composition to the target.Moreover,Mg and B doping have different effects on the crystal structural change of NMC622,to be more specific,the c-lattice parameter increases with Mg doping,while the Li^(+)/Ni^(2+)mixing content increases when B was incorporated into the lattice.Furthermore,the microstructure of primary particles was changed by B doping significantly as confirmed by the SEM images.There were marginal benefits in terms of structural and electrochemical stability of materials introduced by Mg or B sole doping.In comparison,incorporating a suitable amount of both Mg and B into NMC622,we found the capacity retention of cells was noticeably improved by reducing the impedance growth and preventing cation mixing during cycling.This study demonstrates the importance of co-incorporation of Mg,B,and optimizing the co-dopant content to stabilize NMC622 as cathode for lithium-ion batteries.展开更多
文摘The dielectric ceramics with a main crystal phase of MgTiO 3 and additional crystal phase of CaTiO 3 were prepared by the conventional electronic ceramics technology. The structures of MgTiO 3 are ilmenite-type, and belong to hexagonal syngony. The ratio of MgTiO 3 to CaTiO 3 can be adjusted to gain a zero temperature coefficient of ε r and a higher ε r for the system. The effects of B 2O 3 doping on the dielectric properties of MgTiO 3-CaTiO 3 (MCT) ceramics were investigated. The addition of B 2O 3 decreases the sintering temperature and results in rapid densification without obvious negative effect on the Q values of the system (Q=1/tan δ). B 2O 3 exists as liquid phase in the sintering process, promoting the reactions as a sintering agent.
基金supported by the Major Research Plan from the Ministry of Science and Technology of China (Grant No. 2011CB921900)the China Postdoctoral Science Special Foundation (Grant No. 201003009)+2 种基金the China Postdoctoral Science Foundation (GrantNo. 20090460145)the Fundamental Research Funds for the Central Universities (Grant No. 201012200053)the Science and Technology Program of Hunan Province of China (Grant No. 2010DFJ411)
文摘By using the first-principles calculations, the electronic Structure and quantum transport properties of metallic carbon nanotubes with B/N pairs co-doping have been investigated. It is shown that the total energies of metallic carbon nanotubes are sensitive to the doping sites of the B/N pairs. The energy gaps of the doped metallic carbon nanotubes decrease with decreasing the concentration of the B/N pair not only along the tube axis but also around the tube. Moreover, the I-V characteristics and transmissions of the doped tubes are studied. Our results reveal that the conducting ability of the doped tube decreases with increasing the concentrations of the B/N pairs due to symmetry breaking of the system. This fact opens a new way to modulate band structures of metallic carbon nanotubes by doping B/N pair with suitable concentration and the novel characteristics are potentially useful in future applications.
基金supported by the National Natural Science Foundation of China(Nos.22125903 and 51872283)Dalian Innovation Support Plan for High Level Talents(No.2019RT09)+2 种基金Dalian National Laboratory for Clean Energy(DNL),CAS,DNL Cooperation Fund,CAS(Nos.DNL201912,DNL201915,DNL202016,and DNL202019)DICP(No.DICP I2020032)the Joint Fund of the Yulin University and the Dalian National Laboratory for Clean Energy(Nos.YLU‐DNL Fund 2021002 and YLU‐DNL 2021009).
文摘The realization of high‐efficiency,reversible,stable,and safe Li‐O2 batteries is severely hindered by the large overpotential and side reactions,especially at high rate conditions.Therefore,rational design of cathode catalysts with high activity and stability is crucial to overcome the terrible issues at high current density.Herein,we report a surface engineering strategy to adjust the surface electron structure of boron(B)‐doped PtNi nanoalloy on carbon nanotubes(PtNiB@CNTs)as an efficient bifunctional cathodic catalyst for high‐rate and long‐life Li‐O2 batteries.Notably,the Li‐O2 batteries assembled with as‐prepared PtNiB@CNT catalyst exhibit ultrahigh discharge capacity of 20510 mA·h/g and extremely low overpotential of 0.48 V at a high current density of 1000 mA/g,both of which outperform the most reported Pt‐based catalysts recently.Meanwhile,our Li‐O2 batteries offer excellent rate capability and ultra‐long cycling life of up to 210 cycles at 1000 mA/g under a fixed capacity of 1000 mA·h/g,which is two times longer than those of Pt@CNTs and PtNi@CNTs.Furthermore,it is revealed that surface engineering of PtNi nanoalloy via B doping can efficiently tailor the electron structure of nanoalloy and optimize the adsorption of oxygen species,consequently delivering excellent Li‐O2 battery performance.Therefore,this strategy of regulating the nanoalloy by doping nonmetallic elements will pave an avenue for the design of high‐performance catalysts for metal‐oxygen batteries.
基金supported by the National Natural Science Foundation of China(No.51371049)the Natural Science Foundation of Liaoning Province(No.20102173)
文摘As the era of nanoelectronics is dawning,CNT(carbon nanotube),a one-dimensional nano material with outstanding properties and performances,has aroused wide attention.In order to study its optical and electrical properties,this paper has researched the influence of tension-twisting deformation,defects,and mixed type on the electronic structure and optical properties of the armchair carbon nanotube superlattices doped cyclic alternately with B and N by using the first-principle method.Our findings show that if tension-twisting deformation is conducted,then the geometric structure,bond length,binding energy,band gap and optical properties of B,N doped carbon nanotube superlattices with defects and mixed type will be influenced.As the degree of exerted tension-twisting deformation increases,B,N doped carbon nanotube superlattices become less stable,and B,N doped carbon nanotube superlattices with defects are more stable than that with exerted tension-twisting deformations.Proper tension-twisting deformation can adjust the energy gap of the system;defects can only reduce the energy gap,enhancing the system metallicity;while the mixed type of 5%tension,twisting angle of 15° and atomic defects will significantly increase the energy gap of the system.From the perspective of optical properties,doped carbon nanotubes may transform the system from metallicity into semi-conductivity.
基金supported by the National Science Funds for Creative Research Groups of China (No. 51421006)the National Major Projects of Water Pollution Control and Management Technology (No. 2017ZX07204003)+2 种基金the National Key Plan for Research and Development of China (2016YFC0502203)the Key Program of National Natural Science Foundation of China (No. 91647206)the Qing Lan Project of Jiangsu Province, and PAPD
文摘TiO2 films have received increasing attention for the removal of organic pollutants via photocatalysis. To develop a simple and effective method for improving the photodegradation efficiency of pollutants in surface water, we herein examined the preparation of a P25-TiO2 composite film on a cement substrate via a sol–gel method. In this case, Rhodamine B(Rh B)was employed as the target organic pollutant. The self-generated TiO2 film and the P25-TiO2 composite film were characterized by X-ray diffraction(XRD), N2 adsorption/desorption measurements, scanning electron microscopy(SEM), transmission electron microscopy(TEM), and diffuse reflectance spectroscopy(DRS). The photodegradation efficiencies of the two films were studied by Rh B removal in water under UV(ultraviolet) irradiation. Over 4 day exposure, the P25-TiO2 composite film exhibited higher photocatalytic performance than the self-generated TiO2 film. The photodegradation rate indicated that the efficiency of the P25-TiO2 composite film was enhanced by the addition of the rutile phase Degussa P25 powder. As such, cooperation between the anatase TiO2 and rutile P25 nanoparticles was beneficial for separation of the photo-induced electrons and holes. In addition, the influence of P25 doping on the P25-TiO2 composite films was evaluated. We found that up to a certain saturation point, increased doping enhanced the photodegradation ability of the composite film. Thus, we herein demonstrated that the doping of P25 powders is a simple but effective strategy to prepare a P25-TiO2 composite film on a cement substrate, and the resulting film exhibits excellent removal efficiency in the degradation of organic pollutants.
基金financially supported by the National Natural Science Foundation of China(Project numbers.51834004,51774076,51704062)the Fundamental Research Funds for the Central Universities(N2025019)。
文摘The extended cycle life of cells is often sacrificed at the expense of high specific energy for high-nickel materials.Cation doping is a promising method to build high-nickel cathode with high energy density and long cycle life.Herein,a trace amount of Mg-B co-doping in LiNi_(0.6)Mn_(0.2)Co_(0.2)O_2(NMC622)is investigated in this work,which shows improved structural and electrochemical stability of 1%Mg-0.5%B co-doped material at both 30 and 55℃in coin-cell.Comprehensive chemical composition,structural,and surface analysis are carried out in this paper.It was found that all the selected materials have a similar composition to the target.Moreover,Mg and B doping have different effects on the crystal structural change of NMC622,to be more specific,the c-lattice parameter increases with Mg doping,while the Li^(+)/Ni^(2+)mixing content increases when B was incorporated into the lattice.Furthermore,the microstructure of primary particles was changed by B doping significantly as confirmed by the SEM images.There were marginal benefits in terms of structural and electrochemical stability of materials introduced by Mg or B sole doping.In comparison,incorporating a suitable amount of both Mg and B into NMC622,we found the capacity retention of cells was noticeably improved by reducing the impedance growth and preventing cation mixing during cycling.This study demonstrates the importance of co-incorporation of Mg,B,and optimizing the co-dopant content to stabilize NMC622 as cathode for lithium-ion batteries.