The use of carbon-based fuels causes a significant increase in CO_(2)emissions,posing a serious threat to the environment.This review explores the potential application of graphitic carbon nitride(g-C_(3)N_(4))in phot...The use of carbon-based fuels causes a significant increase in CO_(2)emissions,posing a serious threat to the environment.This review explores the potential application of graphitic carbon nitride(g-C_(3)N_(4))in photocatalytic CO_(2)reduction as a strategy to mitigate global warming.The effectiveness of g-C_(3)N_(4)(gCN)in this process is hindered by several factors,including rapid exciton recombination,limited solar light absorption,and a lack of active sites for conducting the reduction.To address these challenges,various amendment techniques have been executed,such as adjusting the morphology of g-C_(3)N_(4),doping it with different atoms,and forming heterojunctions with other semiconductors.This review highlights the role of S-scheme heterojunctions in expanding the photocatalytic activity of g-C_(3)N_(4)and emphasizes that,despite its potential as a photocatalyst for CO_(2)reduction,further research and innovation are essential to overcome its current limitations.展开更多
The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity funct...The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity functional theory.The results show that intrinsic 2D GaSe is a p-type nonmagnetic semiconductor with an indi-rect bandgap of 2.6611 eV.The spin-up and spin-down channels of Sc-,Y-,and La-doped 2D GaSe are symmetric,they are non-magnetic semiconductors.The magnetic moments of Ce-and Eu-doped 2D GaSe are 0.908μ_(B)and 7.163μ_(B),which are magnetic semiconductors.Impurity energy levels appear in both spin-up and spin-down chan-nels of Eu-doped 2D GaSe,which enhances the probability of electron transition.Compared with intrinsic 2D GaSe,the static dielectric constant of the doped 2D GaSe increases,and the polarization ability is strengthened.The ab-sorption spectrum of the doped 2D GaSe shifts in the low-energy direction,and the red-shift phenomenon occurs,which extends the absorption spectral range.The optical reflection coefficient of the doped 2D GaSe is improved in the low energy region,and the improvement of Eu-doped 2D GaSe is the most obvious.展开更多
Bioceramics have attracted extensive attention for bone defect repair due to their excellent bioactivity and degradability.However,challenges remain in matching the rate between bioceramic degradation and new bone for...Bioceramics have attracted extensive attention for bone defect repair due to their excellent bioactivity and degradability.However,challenges remain in matching the rate between bioceramic degradation and new bone formation,necessitating a deeper understanding of their degradation properties.In this study,density functional theory(DFT)calculations was employed to explore the structural and electronic characteristics of silicate bioceramics.These findings reveal a linear correlation between the maximum isosurface value of the valence band maximum(VBM_(Fmax))and the degradability of silicate bioceramics.This correlation was subsequently validated through degradation experiments.Furthermore,the investigation on phosphate bioceramics demonstrates the potential of this descriptor in predicting the degradability of a broader range of bioceramics.This discovery offers valuable insights into the degradation mechanism of bioceramics and holds promise for accelerating the design and development of bioceramics with controllable degradation.展开更多
Sodium-ion batteries are economical and environmentally sustainable energy storage batteries.Among them,β-NaMnO_(2),a promising sodium-ion cathode material,is a manganese-based oxide with a corrugated laminar structu...Sodium-ion batteries are economical and environmentally sustainable energy storage batteries.Among them,β-NaMnO_(2),a promising sodium-ion cathode material,is a manganese-based oxide with a corrugated laminar structure,which has attracted significant attention due to its structural robustness and relatively high specific capacity.However,it has short cycle life and poor rate capability.To address these issues,Ti atoms,known for enhancing structural stability,and Cu atoms,which facilitate desodiation,were doped intoβ-NaMnO_(2) by first-principles calculation and crystal orbital Hamilton population(COHP)analysis.β-NaMn_(0.8)Ti_(0.1)Cu_(0.1)O_(2) exhibits a notable increase in reversible specific capacity and remarkable rate properties.Operating at a current density of 0.2C(1C=219 mA·g^(–1))and within a voltage range of 1.8–4.0 V,the modified material delivers an initial discharge capacity of 132 mAh·g^(–1).After charge/discharge testing at current densities of 0.2C,0.5C,1C,3C,and 0.2C,the material still maintains a capacity of 110 mA h·g^(–1).The doping of Ti atoms slows down the changes in the crystal structure,resulting in only minimal variation in the lattice constant c/a during the desodiation process.Mn and Cu engage in reversible redox reactions at voltages below 3.0 V and around 3.5 V,respectively.The extended plateau observed in the discharge curve below 3.0 V signifies that Mn significantly contributes to the overall battery capacity.This study provides insights into modifyingβ-NaMnO_(2) as a cathode material,offering experimental evidence and theoretical guidance for enhancing battery performance in Na-ion batteries.展开更多
The stereochemically active lone pairs around post-transition metal atoms play an important role in determining distorted lattice structure and optical response.The lone pair electrons are characterized by crystal orb...The stereochemically active lone pairs around post-transition metal atoms play an important role in determining distorted lattice structure and optical response.The lone pair electrons are characterized by crystal orbitals,electron localization function(ELF)and partial density of states(PDOS).Birefringence is evaluated by means of a Born effective charge approach based on modern polarization theory.The origin of the different responses of birefringence and second-harmonic generation(SHG)is explored,as well as the effect of spin-orbit coupling(SOC)on the band structure and optical properties is explored.The study of this paper can help to deeply understand the lone pairs and their contribution to optical property.展开更多
Objective:The introduction of the vicarious resilience concept in psychology and mental health nursing literature is a highly promising advancement.By utilizing this novel concept,experts in various domains can enhanc...Objective:The introduction of the vicarious resilience concept in psychology and mental health nursing literature is a highly promising advancement.By utilizing this novel concept,experts in various domains can enhance their comprehension of how to foster resilience in individuals by observing and learning from the resilience of others.This concept analysis aims to elucidate the concept of vicarious resilience in mental health nursing by defining its related attributes,antecedents,and consequences.Methods:Walker and Avant’s strategy for concept analysis method was used.This review specifically examined mental health nurse providers.A comprehensive literature search was performed in the PubMed,Medline,the Cochrane Library,and CINAHL databases.The inclusion criterion was Englishlanguage documents on vicarious resilience within mental health nursing.Results:A total of 24 articles were included.The concept’s attributes were empathy,hope,resourcefulness,awareness,and spirituality.Antecedents were associated with listening to patients’trauma narratives,self-care,self-awareness,and support from colleagues.Consequences were enhanced well-being,changes in life goals,adaptation,personal growth,and increased personal resilience.Currently,there is only one tool in the empirical reference.Conclusion:Interpreting the concept of vicarious resilience in mental health nursing and determining its characteristics can be utilized to design nursing interventions to develop vicarious resilience and enhance the quality of care in mental health facilities.展开更多
Utilizing sunlight as a renewable energy source,photocatalysis offers a potential solution to global warming and energy shortages by converting CO_(2) into useful solar fuels,including CO,CH4,CH3OH,and C2H5OH.Among th...Utilizing sunlight as a renewable energy source,photocatalysis offers a potential solution to global warming and energy shortages by converting CO_(2) into useful solar fuels,including CO,CH4,CH3OH,and C2H5OH.Among the various formulations investigated,copper-based photocatalysts stand out as particularly appealing for CO_(2) conversion due to their cost-effectiveness and higher abundance in comparison to catalysts based on precious metals.This literature review provides a thorough summary of the latest developments in copper-based photocatalysts used for CO_(2) reduction reactions,including metallic copper,copper oxide,and cuprous oxide photocatalysts.The review also provides a categorical summary of the CO_(2) reduction products and a detailed categorical discussion of the means of modulation and modification of each copper-based catalyst.Finally,this review highlights the existing challenges and proposes future research directions in the development of copper-based photocatalysts for CO_(2) reduction,focusing on boosting energy utilization and improving product formation rates.展开更多
Studying the skin care efficacy of recombinant humanized collagen based on in vitro level.The stability of the recombinant humanized collagen was first analyzed by treating at different temperatures,then its skincare ...Studying the skin care efficacy of recombinant humanized collagen based on in vitro level.The stability of the recombinant humanized collagen was first analyzed by treating at different temperatures,then its skincare efficacy based on in vitro level was evaluated by detecting the inhibition rate of elastase,the inhibition rate of collagenase,the protein content of type I collagen in human fibroblasts,the inhibition of reactive oxygen species(ROS)with human keratinocytes,and the effects of the recombinant humanized collagen on the expression of hyaluronic acid(HA),filaggrin(FLG)and transglutaminase 1(TGM1)in keratinocytes.The results showed that recombinant humanized collagen was able to maintain stability at temperatures below 70℃.With regard to its skincare efficacy,recombinant humanized collagen could inhibit elastase and collagenase activities and promote the increase of type I collagen content in human fibroblasts.It also showed good inhibition of ROS in keratinocytes in vitro and could increase the expression of HA,FLG,and TGM1 in keratinocytes.In short,the recombinant humanized collagen exhibited a favourable skin care effect in vitro level.This study proved that it has potential firming,anti-wrinkle,moisturizing,and repairing efficacy,and is a valuable cosmetic raw material.展开更多
A novel process for sulfidation of ZnO by co-grinding with sulfur and reductive additives (P, Fe, A1, and Mg) was developed. The sulfidation extent of ZnO with the addition of P, Fe, A1 or Mg can reach 85.2%, 81.6%,...A novel process for sulfidation of ZnO by co-grinding with sulfur and reductive additives (P, Fe, A1, and Mg) was developed. The sulfidation extent of ZnO with the addition of P, Fe, A1 or Mg can reach 85.2%, 81.6%, 96.7% and 92.6% after grinding for 4, 6, 1 and 1 h, respectively. Based on the chemical phase composition analysis and morphological characteristics of sulfidized products by XRD, SEM and TEM, a possible reaction mechanism, mechanically induced self-propagating reaction (MSR), was proposed to explain the sulfidization reaction. In addition, the floatability of sulfidized products was investigated for the recovery of metal sulfide and ZnS can be concentrated with a high concentration ratio and concentrate grade. By using the sulfidizing process, it is expected that the recovery of zinc from the wastes or purification of heavy-metal-containing hazardous residues is technically feasible.展开更多
[Objective]To explore an effective method for evaluating drought resistance of Yixing lily and provide a reference for selecting drought-resistant Yixing lily varieties. [Method]Through artificial simulation of drough...[Objective]To explore an effective method for evaluating drought resistance of Yixing lily and provide a reference for selecting drought-resistant Yixing lily varieties. [Method]Through artificial simulation of drought stress environment,the changes of physiological indexes,such as content of proline,malonaldehyde,and reducing sugar in Yixing lily leaf and bulb were observed,when soil water content changed. [Result]The response to drought stress of the Yixing lily leaf was greater than that of the bulb,and the content of the proline and malonaldehyde was higher than that of the reducing sugar. [Conclusion]The leaves as an appropriate material for evaluation and analysis on drought resistance can better reflect the physiological responses of Yixing lily to drought stress. And the content of the malonaldehyde and that of proline are preferable indexes.展开更多
The structural, electronic and elastic properties of common intermetallic compounds in FeTiCoNiVCrMnCuAI system high entropy alloy were investigated by the first principles calculation. The calculation results of form...The structural, electronic and elastic properties of common intermetallic compounds in FeTiCoNiVCrMnCuAI system high entropy alloy were investigated by the first principles calculation. The calculation results of formation enthalpy and cohesive energy show that FeTi, Fe2Ti, AlCrFe2, Co2Ti, AlMn2V and Mn2Ti phases may form in the formation process of the alloy. Further studies show that FeTi, FezTi, AlCrFe2, Co2Ti and AlMn2V phases with higher shear modulus and elastic modulus would be excellent strengthening phases in high entropy alloy and would improve the hardness of the alloy. In addition, the partial density of states was investigated for revealing the bonding mode, and the analyses on the strength of p-d hybridization also reveal the underlying mechanism for the elastic properties of these compounds.展开更多
The atomic geometries, electronic structures, and formation energies of neutral nitrogen im- purities in ZnO have been investigated by first-principles calculations. The nitrogen impuri- ties are always deep acceptors...The atomic geometries, electronic structures, and formation energies of neutral nitrogen im- purities in ZnO have been investigated by first-principles calculations. The nitrogen impuri- ties are always deep acceptors, thus having no contributions to p-type conductivity. Among all the neutral nitrogen impurities, nitrogen substituting on an oxygen site has the lowest formation energy and the shallowest acceptor level, while nitrogen .substituting on a zinc site has the second-lowest formation energy in oxygen-rich conditions. Nitrogen interstitials are unstable at the tetrahedral site and spontaneously relax into a kick-out configuration. Though nitrogen may occupy the octahedral site, the concentrations will be low for the high formation energy. The charge density distributions in various doping cases are discussed, and self-consistent results are obtained.展开更多
In order to utilize slag discarded by nickel plants, the selective recovery of nickel and copper versus iron was investigated by selective reduction, which was achieved by controlling the reduction parameters and magn...In order to utilize slag discarded by nickel plants, the selective recovery of nickel and copper versus iron was investigated by selective reduction, which was achieved by controlling the reduction parameters and magnetic separation process on bench scale. The results show that increasing the basicity (mass ratio of CaO to SIO2) of nickel slag facilitates the enrichment of nickel and copper The process parameters for selective reduction were optimized as follows: basicity of 0.15, reducing at 1200 ~C for 20 min, 5% coal on a dried slag mass base. The grinding-magnetic separation results of reduced briquettes show that concentrate containing 3.25%Ni, 1.20%Cu and 75.26%Fe is obtained and selective enrichment is achieved with a recovery of 82.20%, 80.00% for nickel and copper respectively, while the recovery of iron is only 42.17%. The S and P contents are not reduced obviously and further research may be needed to examine the behaviors of S and P in the process.展开更多
Electrophoretic deposition in conjunction with electrochemical reduction was used to make flexible free-standing graphene-like films. Firstly, graphene oxide (GO) film was deposited on graphite substrate by electrop...Electrophoretic deposition in conjunction with electrochemical reduction was used to make flexible free-standing graphene-like films. Firstly, graphene oxide (GO) film was deposited on graphite substrate by electrophoretic deposition method, and then reduced by subsequent electrochemical reduction of GO to obtain reduced GO (ERGO) film with high electrochemical performance. The morphology, structure and electrochemical performance of the prepared graphene-like film were confirmed by SEM, XRD and FT-IR. These unique materials were found to provide high specific capacitance and good cycling stability. The high specific capacitance of 254 F/g was obtained from cyclic voltammetry measurement at a scan rate of 10 mV/s. When the current density increased to 83.3 A/g, the specific capacitance values still remained 132 F/g. Meanwhile, the high powder density of 39.1 kW/kg was measured at energy density of 11.8 W-h/kg in 1 mol/L H2SO4 solution. Furthermore, at a constant scan rate of 50 mV/s, 97.02% of its capacitance was retained for 1000 cycles. These promising results were attributed to the unique assembly structure of graphene film and low contact resistance, which indicated their potential application to electrochemical capacitors.展开更多
The structural stability, electronic structures, elastic properties and thermodynamic properties of the main binary phases Mg_(17)Al_(12), Al_2Ca, Mg_2 Sn and Mg_2 Ca in Mg-Al-Ca-Sn alloy were determined from the ...The structural stability, electronic structures, elastic properties and thermodynamic properties of the main binary phases Mg_(17)Al_(12), Al_2Ca, Mg_2 Sn and Mg_2 Ca in Mg-Al-Ca-Sn alloy were determined from the first-principles calculation. The calculated lattice parameters are in good agreement with the experimental and literature values. The calculated heats of formation and cohesive energies show that Al_2Ca has the strongest alloying ability and structural stability. The densities of states(DOS), Mulliken electron occupation number, metallicity and charge density difference of these compounds are given. The elastic constants of Mg_(17)Al_(12), Al_2Ca, Mg_2 Sn and Mg_2 Ca phases are calculated, and the bulk moduli, shear moduli, elastic moduli and Poisson ratio are derived. The calculations of thermodynamic properties show that the Gibbs free energies of Al_2Ca and Mg_2 Sn are lower than that of Mg_(17)Al_(12), which indicates that Al_2Ca and Mg_2 Sn are more stable than Mg_(17)Al_(12) phase. Hence, the heat resistance of Mg-Al-based alloys can be improved by adding Ca and Sn additions.展开更多
The first-principle calculations are performed to investigate the structural,mechanical and electronic properties of titanium borides (Ti2B,TiB and TiB2).Those calculated lattice parameters are in good agreement wit...The first-principle calculations are performed to investigate the structural,mechanical and electronic properties of titanium borides (Ti2B,TiB and TiB2).Those calculated lattice parameters are in good agreement with the experimental data and previous theoretical values.All these borides are found to be mechanically stable at ambient pressure.Compared with parent metal Ti (120 GPa),the larger bulk modulus of these borides increase successively with the increase of the boron content in three borides,which may be due to direction bonding introduced by the boron atoms in the lattice and the strong covalent Ti-B bonds.Additionally,TiB can be regarded as a candidate of incompressible and hard material besides TiB2.Furthermore,the elastic anisotropy and Debye temperatures are also discussed by investigating the elastic constants and moduli.Electronic density of states and atomic Mulliken charges analysis show that chemical bonding in these titanium borides is a complex mixture of covalent,ionic,and metallic characters.展开更多
The structure,stability and elastic properties of di-transition-metal carbides TixV1-xC were investigated by using the first-principles with a pseudopotential plane-waves method.The results show that the equilibrium l...The structure,stability and elastic properties of di-transition-metal carbides TixV1-xC were investigated by using the first-principles with a pseudopotential plane-waves method.The results show that the equilibrium lattice constants of TixV1-xC show a nearly linear reduction with increasing addition of V.The elastic properties of TixV1-xC are varied by doping with V.The bulk modulus of Ti0.5V0.5C is larger than that of pure TiC,as well as Ti0.5V0.5C has the largest C44 among TixV1-xC(0≤x≤1),indicating that Ti0.5V0.5C has higher hardness than pure TiC.However,Ti0.5V0.5C presents brittleness based on the analysis of ductile/brittle behavior.The Ti0.5V0.5C carbide has the lowest formation energy,indicating that Ti0.5V0.5C is more stable than all other alloys.展开更多
[Objective] The aim of this study was to identify swine diseases caused by CSFV,PRRSV and PCV2 and thus to analyze its pathogeny chracteristics.[Method] The tissues and viscera of the diseased swine were collected fro...[Objective] The aim of this study was to identify swine diseases caused by CSFV,PRRSV and PCV2 and thus to analyze its pathogeny chracteristics.[Method] The tissues and viscera of the diseased swine were collected from Xiangtan of Hunan(Code of HN/XT)to extract DNA and RNA for PCR amplification and sequencing.Meanwhile,the virulent strains were isolated and identified by cell separation technology.[Result] The sequencing analysis results showed that the amino acid homology between CSFV,PRRSV,PCV2 and sequen...展开更多
文摘The use of carbon-based fuels causes a significant increase in CO_(2)emissions,posing a serious threat to the environment.This review explores the potential application of graphitic carbon nitride(g-C_(3)N_(4))in photocatalytic CO_(2)reduction as a strategy to mitigate global warming.The effectiveness of g-C_(3)N_(4)(gCN)in this process is hindered by several factors,including rapid exciton recombination,limited solar light absorption,and a lack of active sites for conducting the reduction.To address these challenges,various amendment techniques have been executed,such as adjusting the morphology of g-C_(3)N_(4),doping it with different atoms,and forming heterojunctions with other semiconductors.This review highlights the role of S-scheme heterojunctions in expanding the photocatalytic activity of g-C_(3)N_(4)and emphasizes that,despite its potential as a photocatalyst for CO_(2)reduction,further research and innovation are essential to overcome its current limitations.
文摘The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity functional theory.The results show that intrinsic 2D GaSe is a p-type nonmagnetic semiconductor with an indi-rect bandgap of 2.6611 eV.The spin-up and spin-down channels of Sc-,Y-,and La-doped 2D GaSe are symmetric,they are non-magnetic semiconductors.The magnetic moments of Ce-and Eu-doped 2D GaSe are 0.908μ_(B)and 7.163μ_(B),which are magnetic semiconductors.Impurity energy levels appear in both spin-up and spin-down chan-nels of Eu-doped 2D GaSe,which enhances the probability of electron transition.Compared with intrinsic 2D GaSe,the static dielectric constant of the doped 2D GaSe increases,and the polarization ability is strengthened.The ab-sorption spectrum of the doped 2D GaSe shifts in the low-energy direction,and the red-shift phenomenon occurs,which extends the absorption spectral range.The optical reflection coefficient of the doped 2D GaSe is improved in the low energy region,and the improvement of Eu-doped 2D GaSe is the most obvious.
基金National Key Research and Development Program of China (2023YFB3813000)National Natural Science Foundation of China (52272256)State Key Laboratory of Advanced Technology for Materials Synthesis and Processing (Wuhan University of Technology)(2022-KF-77)。
文摘Bioceramics have attracted extensive attention for bone defect repair due to their excellent bioactivity and degradability.However,challenges remain in matching the rate between bioceramic degradation and new bone formation,necessitating a deeper understanding of their degradation properties.In this study,density functional theory(DFT)calculations was employed to explore the structural and electronic characteristics of silicate bioceramics.These findings reveal a linear correlation between the maximum isosurface value of the valence band maximum(VBM_(Fmax))and the degradability of silicate bioceramics.This correlation was subsequently validated through degradation experiments.Furthermore,the investigation on phosphate bioceramics demonstrates the potential of this descriptor in predicting the degradability of a broader range of bioceramics.This discovery offers valuable insights into the degradation mechanism of bioceramics and holds promise for accelerating the design and development of bioceramics with controllable degradation.
基金National Key R&D Program of China(2022YFB3807700)National Natural Science Foundation of China(22133005,22103093)+4 种基金Science and Technology Commission of Shanghai Municipality(21ZR1472900,22ZR1471600,23ZR1472600)Youth Innovation Promotion Association CAS(2022251)Shanghai Super Post-Doctor Incentive Program(2022665)China Postdoctoral Science Foundation(2023M733621)Shanghai Explorer Program(Batch I)(23TS1401500)。
文摘Sodium-ion batteries are economical and environmentally sustainable energy storage batteries.Among them,β-NaMnO_(2),a promising sodium-ion cathode material,is a manganese-based oxide with a corrugated laminar structure,which has attracted significant attention due to its structural robustness and relatively high specific capacity.However,it has short cycle life and poor rate capability.To address these issues,Ti atoms,known for enhancing structural stability,and Cu atoms,which facilitate desodiation,were doped intoβ-NaMnO_(2) by first-principles calculation and crystal orbital Hamilton population(COHP)analysis.β-NaMn_(0.8)Ti_(0.1)Cu_(0.1)O_(2) exhibits a notable increase in reversible specific capacity and remarkable rate properties.Operating at a current density of 0.2C(1C=219 mA·g^(–1))and within a voltage range of 1.8–4.0 V,the modified material delivers an initial discharge capacity of 132 mAh·g^(–1).After charge/discharge testing at current densities of 0.2C,0.5C,1C,3C,and 0.2C,the material still maintains a capacity of 110 mA h·g^(–1).The doping of Ti atoms slows down the changes in the crystal structure,resulting in only minimal variation in the lattice constant c/a during the desodiation process.Mn and Cu engage in reversible redox reactions at voltages below 3.0 V and around 3.5 V,respectively.The extended plateau observed in the discharge curve below 3.0 V signifies that Mn significantly contributes to the overall battery capacity.This study provides insights into modifyingβ-NaMnO_(2) as a cathode material,offering experimental evidence and theoretical guidance for enhancing battery performance in Na-ion batteries.
基金supported by the National Natural Science Foundation of the People's Republic of China“Mechanistic study of the influence of ns^(2) cation intrinsic properties and coordination environment on birefringence and frequency doubling effects”(12264047),“The study of the mechanism of the influence of lead-oxygen polyhedra and their coordination environments on the gain of the frequency doubling effect”(11864040)Tianshan Talent Project of Xinjiang Uygur Autonomous Region of China“Design,synthesis and photofunctional study of novel rare earth phosphate materials”(2022TSYCJU0004)。
文摘The stereochemically active lone pairs around post-transition metal atoms play an important role in determining distorted lattice structure and optical response.The lone pair electrons are characterized by crystal orbitals,electron localization function(ELF)and partial density of states(PDOS).Birefringence is evaluated by means of a Born effective charge approach based on modern polarization theory.The origin of the different responses of birefringence and second-harmonic generation(SHG)is explored,as well as the effect of spin-orbit coupling(SOC)on the band structure and optical properties is explored.The study of this paper can help to deeply understand the lone pairs and their contribution to optical property.
基金This research did not receive any specific grant from funding agencies in the public,commercial,or not-for-profit sectors.
文摘Objective:The introduction of the vicarious resilience concept in psychology and mental health nursing literature is a highly promising advancement.By utilizing this novel concept,experts in various domains can enhance their comprehension of how to foster resilience in individuals by observing and learning from the resilience of others.This concept analysis aims to elucidate the concept of vicarious resilience in mental health nursing by defining its related attributes,antecedents,and consequences.Methods:Walker and Avant’s strategy for concept analysis method was used.This review specifically examined mental health nurse providers.A comprehensive literature search was performed in the PubMed,Medline,the Cochrane Library,and CINAHL databases.The inclusion criterion was Englishlanguage documents on vicarious resilience within mental health nursing.Results:A total of 24 articles were included.The concept’s attributes were empathy,hope,resourcefulness,awareness,and spirituality.Antecedents were associated with listening to patients’trauma narratives,self-care,self-awareness,and support from colleagues.Consequences were enhanced well-being,changes in life goals,adaptation,personal growth,and increased personal resilience.Currently,there is only one tool in the empirical reference.Conclusion:Interpreting the concept of vicarious resilience in mental health nursing and determining its characteristics can be utilized to design nursing interventions to develop vicarious resilience and enhance the quality of care in mental health facilities.
文摘Utilizing sunlight as a renewable energy source,photocatalysis offers a potential solution to global warming and energy shortages by converting CO_(2) into useful solar fuels,including CO,CH4,CH3OH,and C2H5OH.Among the various formulations investigated,copper-based photocatalysts stand out as particularly appealing for CO_(2) conversion due to their cost-effectiveness and higher abundance in comparison to catalysts based on precious metals.This literature review provides a thorough summary of the latest developments in copper-based photocatalysts used for CO_(2) reduction reactions,including metallic copper,copper oxide,and cuprous oxide photocatalysts.The review also provides a categorical summary of the CO_(2) reduction products and a detailed categorical discussion of the means of modulation and modification of each copper-based catalyst.Finally,this review highlights the existing challenges and proposes future research directions in the development of copper-based photocatalysts for CO_(2) reduction,focusing on boosting energy utilization and improving product formation rates.
文摘Studying the skin care efficacy of recombinant humanized collagen based on in vitro level.The stability of the recombinant humanized collagen was first analyzed by treating at different temperatures,then its skincare efficacy based on in vitro level was evaluated by detecting the inhibition rate of elastase,the inhibition rate of collagenase,the protein content of type I collagen in human fibroblasts,the inhibition of reactive oxygen species(ROS)with human keratinocytes,and the effects of the recombinant humanized collagen on the expression of hyaluronic acid(HA),filaggrin(FLG)and transglutaminase 1(TGM1)in keratinocytes.The results showed that recombinant humanized collagen was able to maintain stability at temperatures below 70℃.With regard to its skincare efficacy,recombinant humanized collagen could inhibit elastase and collagenase activities and promote the increase of type I collagen content in human fibroblasts.It also showed good inhibition of ROS in keratinocytes in vitro and could increase the expression of HA,FLG,and TGM1 in keratinocytes.In short,the recombinant humanized collagen exhibited a favourable skin care effect in vitro level.This study proved that it has potential firming,anti-wrinkle,moisturizing,and repairing efficacy,and is a valuable cosmetic raw material.
基金Project(50925417) supported by the China National Funds for Distinguished Young ScientistsProject(50830301) supported by the National Natural Science Foundation of China+1 种基金Projects(2010AA065203,2011AA061001) supported by the National High-tech Research Program of ChinaProject(NCET-10-0840) supported by the Program for New Century Excellent Talents in University,China
文摘A novel process for sulfidation of ZnO by co-grinding with sulfur and reductive additives (P, Fe, A1, and Mg) was developed. The sulfidation extent of ZnO with the addition of P, Fe, A1 or Mg can reach 85.2%, 81.6%, 96.7% and 92.6% after grinding for 4, 6, 1 and 1 h, respectively. Based on the chemical phase composition analysis and morphological characteristics of sulfidized products by XRD, SEM and TEM, a possible reaction mechanism, mechanically induced self-propagating reaction (MSR), was proposed to explain the sulfidization reaction. In addition, the floatability of sulfidized products was investigated for the recovery of metal sulfide and ZnS can be concentrated with a high concentration ratio and concentrate grade. By using the sulfidizing process, it is expected that the recovery of zinc from the wastes or purification of heavy-metal-containing hazardous residues is technically feasible.
基金Supported by Natural Science Foundation of Hubei Province(2005ABA211)~~
文摘[Objective]To explore an effective method for evaluating drought resistance of Yixing lily and provide a reference for selecting drought-resistant Yixing lily varieties. [Method]Through artificial simulation of drought stress environment,the changes of physiological indexes,such as content of proline,malonaldehyde,and reducing sugar in Yixing lily leaf and bulb were observed,when soil water content changed. [Result]The response to drought stress of the Yixing lily leaf was greater than that of the bulb,and the content of the proline and malonaldehyde was higher than that of the reducing sugar. [Conclusion]The leaves as an appropriate material for evaluation and analysis on drought resistance can better reflect the physiological responses of Yixing lily to drought stress. And the content of the malonaldehyde and that of proline are preferable indexes.
基金Project supported by the National Key Laboratory Opening Funding of Advanced Composites in Special Environments in Harbin Institute of Technology,China
文摘The structural, electronic and elastic properties of common intermetallic compounds in FeTiCoNiVCrMnCuAI system high entropy alloy were investigated by the first principles calculation. The calculation results of formation enthalpy and cohesive energy show that FeTi, Fe2Ti, AlCrFe2, Co2Ti, AlMn2V and Mn2Ti phases may form in the formation process of the alloy. Further studies show that FeTi, FezTi, AlCrFe2, Co2Ti and AlMn2V phases with higher shear modulus and elastic modulus would be excellent strengthening phases in high entropy alloy and would improve the hardness of the alloy. In addition, the partial density of states was investigated for revealing the bonding mode, and the analyses on the strength of p-d hybridization also reveal the underlying mechanism for the elastic properties of these compounds.
文摘The atomic geometries, electronic structures, and formation energies of neutral nitrogen im- purities in ZnO have been investigated by first-principles calculations. The nitrogen impuri- ties are always deep acceptors, thus having no contributions to p-type conductivity. Among all the neutral nitrogen impurities, nitrogen substituting on an oxygen site has the lowest formation energy and the shallowest acceptor level, while nitrogen .substituting on a zinc site has the second-lowest formation energy in oxygen-rich conditions. Nitrogen interstitials are unstable at the tetrahedral site and spontaneously relax into a kick-out configuration. Though nitrogen may occupy the octahedral site, the concentrations will be low for the high formation energy. The charge density distributions in various doping cases are discussed, and self-consistent results are obtained.
基金Project([2009]606)supported by the National Development and Reform Commission of ChinaProject(50974135)supported by the National Natural Science Foundation of China
文摘In order to utilize slag discarded by nickel plants, the selective recovery of nickel and copper versus iron was investigated by selective reduction, which was achieved by controlling the reduction parameters and magnetic separation process on bench scale. The results show that increasing the basicity (mass ratio of CaO to SIO2) of nickel slag facilitates the enrichment of nickel and copper The process parameters for selective reduction were optimized as follows: basicity of 0.15, reducing at 1200 ~C for 20 min, 5% coal on a dried slag mass base. The grinding-magnetic separation results of reduced briquettes show that concentrate containing 3.25%Ni, 1.20%Cu and 75.26%Fe is obtained and selective enrichment is achieved with a recovery of 82.20%, 80.00% for nickel and copper respectively, while the recovery of iron is only 42.17%. The S and P contents are not reduced obviously and further research may be needed to examine the behaviors of S and P in the process.
基金Projects(21361020,21061012)supported by the National Natural Science Foundation of ChinaProject(NZ12156)supported by the Natural Science Foundation of Ningxia,ChinaProject(N-09-13)supported by Project of State Key Laboratory of Catalysis,Dalian Institute of Chemical Physics of the Chinese Academy of Sciences
文摘Electrophoretic deposition in conjunction with electrochemical reduction was used to make flexible free-standing graphene-like films. Firstly, graphene oxide (GO) film was deposited on graphite substrate by electrophoretic deposition method, and then reduced by subsequent electrochemical reduction of GO to obtain reduced GO (ERGO) film with high electrochemical performance. The morphology, structure and electrochemical performance of the prepared graphene-like film were confirmed by SEM, XRD and FT-IR. These unique materials were found to provide high specific capacitance and good cycling stability. The high specific capacitance of 254 F/g was obtained from cyclic voltammetry measurement at a scan rate of 10 mV/s. When the current density increased to 83.3 A/g, the specific capacitance values still remained 132 F/g. Meanwhile, the high powder density of 39.1 kW/kg was measured at energy density of 11.8 W-h/kg in 1 mol/L H2SO4 solution. Furthermore, at a constant scan rate of 50 mV/s, 97.02% of its capacitance was retained for 1000 cycles. These promising results were attributed to the unique assembly structure of graphene film and low contact resistance, which indicated their potential application to electrochemical capacitors.
基金Project(20131083) supported by the Doctoral Starting up Foundation of Liaoning Province,ClhinaProject(LT201304) supported by the Program for Liaoning Innovative Research Team in University,ChinaProject(2013201018) supported by the Key Technologies Research and Development Program of Liaoning Province,China
文摘The structural stability, electronic structures, elastic properties and thermodynamic properties of the main binary phases Mg_(17)Al_(12), Al_2Ca, Mg_2 Sn and Mg_2 Ca in Mg-Al-Ca-Sn alloy were determined from the first-principles calculation. The calculated lattice parameters are in good agreement with the experimental and literature values. The calculated heats of formation and cohesive energies show that Al_2Ca has the strongest alloying ability and structural stability. The densities of states(DOS), Mulliken electron occupation number, metallicity and charge density difference of these compounds are given. The elastic constants of Mg_(17)Al_(12), Al_2Ca, Mg_2 Sn and Mg_2 Ca phases are calculated, and the bulk moduli, shear moduli, elastic moduli and Poisson ratio are derived. The calculations of thermodynamic properties show that the Gibbs free energies of Al_2Ca and Mg_2 Sn are lower than that of Mg_(17)Al_(12), which indicates that Al_2Ca and Mg_2 Sn are more stable than Mg_(17)Al_(12) phase. Hence, the heat resistance of Mg-Al-based alloys can be improved by adding Ca and Sn additions.
基金Project(2010JK404) supported by the Education Committee Natural Science Foundation of Shaanxi Province,ChinaProjects(ZK0918,ZK0915) supported by the Baoji University of Arts and Sciences Key Research,China
文摘The first-principle calculations are performed to investigate the structural,mechanical and electronic properties of titanium borides (Ti2B,TiB and TiB2).Those calculated lattice parameters are in good agreement with the experimental data and previous theoretical values.All these borides are found to be mechanically stable at ambient pressure.Compared with parent metal Ti (120 GPa),the larger bulk modulus of these borides increase successively with the increase of the boron content in three borides,which may be due to direction bonding introduced by the boron atoms in the lattice and the strong covalent Ti-B bonds.Additionally,TiB can be regarded as a candidate of incompressible and hard material besides TiB2.Furthermore,the elastic anisotropy and Debye temperatures are also discussed by investigating the elastic constants and moduli.Electronic density of states and atomic Mulliken charges analysis show that chemical bonding in these titanium borides is a complex mixture of covalent,ionic,and metallic characters.
基金Project(Z2006F07)supported by Natural Science Foundation of Shandong Province,China
文摘The structure,stability and elastic properties of di-transition-metal carbides TixV1-xC were investigated by using the first-principles with a pseudopotential plane-waves method.The results show that the equilibrium lattice constants of TixV1-xC show a nearly linear reduction with increasing addition of V.The elastic properties of TixV1-xC are varied by doping with V.The bulk modulus of Ti0.5V0.5C is larger than that of pure TiC,as well as Ti0.5V0.5C has the largest C44 among TixV1-xC(0≤x≤1),indicating that Ti0.5V0.5C has higher hardness than pure TiC.However,Ti0.5V0.5C presents brittleness based on the analysis of ductile/brittle behavior.The Ti0.5V0.5C carbide has the lowest formation energy,indicating that Ti0.5V0.5C is more stable than all other alloys.
基金Supported by National 863 High-tech Research Development Plan(2006AA241110)~~
文摘[Objective] The aim of this study was to identify swine diseases caused by CSFV,PRRSV and PCV2 and thus to analyze its pathogeny chracteristics.[Method] The tissues and viscera of the diseased swine were collected from Xiangtan of Hunan(Code of HN/XT)to extract DNA and RNA for PCR amplification and sequencing.Meanwhile,the virulent strains were isolated and identified by cell separation technology.[Result] The sequencing analysis results showed that the amino acid homology between CSFV,PRRSV,PCV2 and sequen...