Directional design of efficient catalysts for volatile organic compounds degradation remains a complex,yet effective and challenging process.Herein,oxygen-rich vacancy Co_(3)O_(4)-anchored Pt catalysts were prepared t...Directional design of efficient catalysts for volatile organic compounds degradation remains a complex,yet effective and challenging process.Herein,oxygen-rich vacancy Co_(3)O_(4)-anchored Pt catalysts were prepared through atom-trapping strategy and relevant vacancy defect inductive effect was proposed.The 0.6Pt/VO-Co_(3)O_(4)catalyst presented a reaction rate value of 32.2×10^(-5)mol·g_(cat)^(-1)·s^(-1)at 160℃for catalytic propane total oxidation,which was nearly 5 times the reaction rate of Co_(3)O_(4)(6.7×10^(-5)mol·g_(cat)^(-1)·s^(-1)).Also,it exhibited excellent water-resistance and catalytic stability.The Pt atoms were stabilized on the Co_(3)O_(4)surface by vacancy defects to improve dispersion.Meanwhile,the vacancy defect inductive effect induced stronger electron interaction between Pt and Co_(3)O_(4)on the surface,thus promote the redox ability at low-temperature.The mobility and oxygen-activating ability of surface lattice oxygen were also strengthened by the vacancy defect inductive effect.This facilitated the generation of more surface-active oxygen species for the cleavage of C-H bond and the deep oxidation of intermediate species.Overall,this study proposed a novel concept the fabrication of highly efficient catalysts for the purpose of catalytic oxidation.展开更多
The Bauschinger and size effects in the thinfilm plasticity theory arising from the defect-energy of geometrically necessary dislocations （GNDs） are analytically investigated in this paper. Firstly, this defect-ener...The Bauschinger and size effects in the thinfilm plasticity theory arising from the defect-energy of geometrically necessary dislocations （GNDs） are analytically investigated in this paper. Firstly, this defect-energy is deduced based on the elastic interactions of coupling dislocations （or pile-ups） moving on the closed neighboring slip plane. This energy is a quadratic function of the GNDs density, and includes an elastic interaction coefficient and an energetic length scale L. By incorporating it into the work- conjugate strain gradient plasticity theory of Gurtin, an energetic stress associated with this defect energy is obtained, which just plays the role of back stress in the kinematic hardening model. Then this back-stress hardening model is used to investigate the Bauschinger and size effects in the tension problem of single crystal Al films with passivation layers. The tension stress in the film shows a reverse dependence on the film thickness h. By comparing it with discrete-dislocation simulation results, the length scale L is determined, which is just several slip plane spacing, and accords well with our physical interpretation for the defect- energy. The Bauschinger effect after unloading is analyzed by combining this back-stress hardening model with a friction model. The effects of film thickness and pre-strain on the reversed plastic strain after unloading are quantified and qualitatively compared with experiment results.展开更多
The discovery of ideal spin-1/2 kagome antiferromagnets Herbertsmithite and Zn-doped Barlowite represents a breakthrough in the quest for quantum spin liquids(QSLs),and nuclear magnetic resonance(NMR)spectroscopy play...The discovery of ideal spin-1/2 kagome antiferromagnets Herbertsmithite and Zn-doped Barlowite represents a breakthrough in the quest for quantum spin liquids(QSLs),and nuclear magnetic resonance(NMR)spectroscopy plays a prominent role in revealing the quantum paramagnetism in these compounds.However,interpretation of NMR data that is often masked by defects can be controversial.Here,we show that the most significant interaction strength for NMR,i.e.the hyperfine coupling(HFC)strength,can be reasonably reproduced by first-principles calculations for these proposed QSLs.Applying this method to a supercell containing Cu-Zn defects enables us to map out the variation and distribution of HFC at different nuclear sites.This predictive power is expected to bridge the missing link in the analysis of the low-temperature NMR data.展开更多
It is difficult to establish structure-property relationships in a defective solid because of its inhomogeneous-geometry microstructure caused by defects. In the present research, the effects of pores and cracks on th...It is difficult to establish structure-property relationships in a defective solid because of its inhomogeneous-geometry microstructure caused by defects. In the present research, the effects of pores and cracks on the Young’s modulus of a defective solid are studied. Based on the law of the conservation of energy, mathematical formulations are proposed to indicate how the shape, size, and distribution of defects affect the effective Young’s modulus. In this approach, detailed equations are illustrated to represent the shape and size of defects on the effective Young’s modulus. Different from the results obtained from the traditional empirical analyses, mixture law or statistical method, for the first time, our results from the finite element method （FEM） and strict analytical calculation show that the influence of pore radius and crack length on the effective Young’s modulus can be quantified. It is found that the longest crack in a typical microstructure of ceramic coating dominates the contribution of the effective Young’s modulus in the vertical direction of the crack.展开更多
Based on the experimental phenomena of flexoelectric response at defect sites in nematic inversion walls conducted by Kumar et al., we gave the theoretical analysis using the Frank elastic theory. When a direct-curren...Based on the experimental phenomena of flexoelectric response at defect sites in nematic inversion walls conducted by Kumar et al., we gave the theoretical analysis using the Frank elastic theory. When a direct-current electric field normal to the plane of the substrate is applied to the parallel aligned nematic liquid crystal cell with weak anchoring, the rotation of 4-1 defects in the narrow inversion walls can be exhibited. The free energy of liquid crystal molecules around the ＋1 and - 1 defect sites in the nematic inversion walls under the electric field was formulated and the electric-field-driven structural changes at the defect site characterized by polar and azimuthal angles of the local director were simulated. The results reveal that the deviation of azimuthal angle induced by flexoelectric effect are consistent with the switching of extinction brushes at the - 1 and -1 defects obtained in the experiment conducted by Kumar et al.展开更多
Undoped p-type Ga Sb single crystals were annealed at 550–600℃ for 100 h in ambient antimony. The annealed Ga Sb samples were investigated by Hall effect measurement, glow discharge mass spectroscopy（GDMS）, infra...Undoped p-type Ga Sb single crystals were annealed at 550–600℃ for 100 h in ambient antimony. The annealed Ga Sb samples were investigated by Hall effect measurement, glow discharge mass spectroscopy（GDMS）, infrared（IR）optical transmission and photoluminescence（PL） spectroscopy. Compared with the as-grown Ga Sb single crystal, the annealed Ga Sb samples have lower hole concentrations and weak native acceptor related PL peaks, indicating the reduction of the concentration of gallium antisite related native acceptor defects. Consequently, the below gap infrared transmission of the Ga Sb samples is enhanced after the thermal treatment. The mechanism about the reduction of the native defect concentration and its influence on the material property were discussed.展开更多
To gain a physical insight into the radiation effect on nanowires（NWs）, the time resolved photoluminescence（TRPL）technique is used to investigate the carrier dynamic behaviors in GaAs/AlGaAs core–shell NWs before...To gain a physical insight into the radiation effect on nanowires（NWs）, the time resolved photoluminescence（TRPL）technique is used to investigate the carrier dynamic behaviors in GaAs/AlGaAs core–shell NWs before and after 1-MeV proton irradiation with fluences ranging from 1.0 × 10^（12） cm^（-2） to 3.0 × 10^（13） cm^（-2）. It is found that the degradations of spectral peak intensity and minority carrier lifetime show similar trends against irradiation fluence, which is closely related to the displacement defects induced by irradiation. We also find that the proton irradiation-induced defects behave as Shockley–Read–Hall（SRH） recombination center trapping free carriers. Finally, the defect concentration could be estimated through measuring the minority carrier lifetime.展开更多
Software reliability for business applications is becoming a topic of interest in the IT community. An effective method to validate and understand defect behaviour in a software application is Fault Injection. Fault i...Software reliability for business applications is becoming a topic of interest in the IT community. An effective method to validate and understand defect behaviour in a software application is Fault Injection. Fault injection involves the deliberate insertion of faults or errors into software in order to determine its response and to study its behaviour. Fault Injection Modeling has demonstrated to be an effective method for study and analysis of defect response, validating fault-tolerant systems, and understanding systems behaviour in the presence of injected faults. The objectives of this study are to measure and analyze defect leakage;Amplification Index (AI) of errors and examine “Domino” effect of defects leaked into subsequent Software Development Life Cycle phases in a business application. The approach endeavour to demonstrate the phasewise impact of leaked defects, through causal analysis and quantitative analysis of defects leakage and amplification index patterns in system built using technology variants (C#, VB 6.0, Java).展开更多
Electrolysis of water splitting is a clean and sustainable method for hydrogen production without the consumption of fossil fuels or the emission of carbon dioxide.Although a series of non-precious metal catalysts hav...Electrolysis of water splitting is a clean and sustainable method for hydrogen production without the consumption of fossil fuels or the emission of carbon dioxide.Although a series of non-precious metal catalysts have been developed,they still cannot match the performance of precious metal catalysts in water electrolysis.Ruthenium(Ru),as a noble metal with an ideal cost-to-performance ratio and stable activity,is widely utilized by researchers.However,Ru-sites of electrocatalysts still face several challenges,such as size optimization,structural instability,and electronic structure regulation.This article reviews the design strategies on engineering Ru-based electrocatalysts for efficient water electrolysis,such as atomic-level dispersion,alloying,framework effect,doping,defect engineering,and interface design.And the application progress of precious metal catalysts in the seawater electrolysis was further reviewed and analyzed.These design strategies and their unique advantages provide a valuable theoretical foundation for the future application of Ru-based catalysts in hydrogen production via water electrolysis.展开更多
The method of numerical simulation is used to fit the relationship between the photoconductivity in films and the illumination time. The generation and process rule of kinds of different charged defect states during i...The method of numerical simulation is used to fit the relationship between the photoconductivity in films and the illumination time. The generation and process rule of kinds of different charged defect states during illumination are revealed. It is found surprisingly that the initial photoconductivity determines directly the total account of photoconductivity degradation of sample.展开更多
文摘Directional design of efficient catalysts for volatile organic compounds degradation remains a complex,yet effective and challenging process.Herein,oxygen-rich vacancy Co_(3)O_(4)-anchored Pt catalysts were prepared through atom-trapping strategy and relevant vacancy defect inductive effect was proposed.The 0.6Pt/VO-Co_(3)O_(4)catalyst presented a reaction rate value of 32.2×10^(-5)mol·g_(cat)^(-1)·s^(-1)at 160℃for catalytic propane total oxidation,which was nearly 5 times the reaction rate of Co_(3)O_(4)(6.7×10^(-5)mol·g_(cat)^(-1)·s^(-1)).Also,it exhibited excellent water-resistance and catalytic stability.The Pt atoms were stabilized on the Co_(3)O_(4)surface by vacancy defects to improve dispersion.Meanwhile,the vacancy defect inductive effect induced stronger electron interaction between Pt and Co_(3)O_(4)on the surface,thus promote the redox ability at low-temperature.The mobility and oxygen-activating ability of surface lattice oxygen were also strengthened by the vacancy defect inductive effect.This facilitated the generation of more surface-active oxygen species for the cleavage of C-H bond and the deep oxidation of intermediate species.Overall,this study proposed a novel concept the fabrication of highly efficient catalysts for the purpose of catalytic oxidation.
基金supported by the National Natural Science Foundation of China (10772096)
文摘The Bauschinger and size effects in the thinfilm plasticity theory arising from the defect-energy of geometrically necessary dislocations （GNDs） are analytically investigated in this paper. Firstly, this defect-energy is deduced based on the elastic interactions of coupling dislocations （or pile-ups） moving on the closed neighboring slip plane. This energy is a quadratic function of the GNDs density, and includes an elastic interaction coefficient and an energetic length scale L. By incorporating it into the work- conjugate strain gradient plasticity theory of Gurtin, an energetic stress associated with this defect energy is obtained, which just plays the role of back stress in the kinematic hardening model. Then this back-stress hardening model is used to investigate the Bauschinger and size effects in the tension problem of single crystal Al films with passivation layers. The tension stress in the film shows a reverse dependence on the film thickness h. By comparing it with discrete-dislocation simulation results, the length scale L is determined, which is just several slip plane spacing, and accords well with our physical interpretation for the defect- energy. The Bauschinger effect after unloading is analyzed by combining this back-stress hardening model with a friction model. The effects of film thickness and pre-strain on the reversed plastic strain after unloading are quantified and qualitatively compared with experiment results.
基金supported by the National Natural Science Foundation of China(11774196)Tsinghua University Initiative Scientific Research Program+5 种基金supported by the National Postdoctoral Program for Innovative Talents of China(BX201600091)the Funding from China Postdoctoral Science Foundation(2017M610858)the support from US-DOE(DEFG02-04ER46148)supported by National Key Research and Development Program of China(2016YFA0300202)National Natural Science Foundation of China(11774306)the Strategic Priority Research Program of Chinese Academy of Sciences(XDB28000000)
文摘The discovery of ideal spin-1/2 kagome antiferromagnets Herbertsmithite and Zn-doped Barlowite represents a breakthrough in the quest for quantum spin liquids(QSLs),and nuclear magnetic resonance(NMR)spectroscopy plays a prominent role in revealing the quantum paramagnetism in these compounds.However,interpretation of NMR data that is often masked by defects can be controversial.Here,we show that the most significant interaction strength for NMR,i.e.the hyperfine coupling(HFC)strength,can be reasonably reproduced by first-principles calculations for these proposed QSLs.Applying this method to a supercell containing Cu-Zn defects enables us to map out the variation and distribution of HFC at different nuclear sites.This predictive power is expected to bridge the missing link in the analysis of the low-temperature NMR data.
基金Project supported by the National Natural Science Foundation of China (Grant No. 50801005)
文摘It is difficult to establish structure-property relationships in a defective solid because of its inhomogeneous-geometry microstructure caused by defects. In the present research, the effects of pores and cracks on the Young’s modulus of a defective solid are studied. Based on the law of the conservation of energy, mathematical formulations are proposed to indicate how the shape, size, and distribution of defects affect the effective Young’s modulus. In this approach, detailed equations are illustrated to represent the shape and size of defects on the effective Young’s modulus. Different from the results obtained from the traditional empirical analyses, mixture law or statistical method, for the first time, our results from the finite element method （FEM） and strict analytical calculation show that the influence of pore radius and crack length on the effective Young’s modulus can be quantified. It is found that the longest crack in a typical microstructure of ceramic coating dominates the contribution of the effective Young’s modulus in the vertical direction of the crack.
基金National Natural Science Foundation of China !under Grant No. 59671039.
文摘The effects of distribution of induced defects on the positron diffusion was studied by using the point-source diffusion model and 6 function method.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11374087,11274088,and 11304074)the Natural Science Foundation of Hebei Province,China(Grant Nos.A2014202123 and A2016202282)+1 种基金the Research Project of Hebei Education Department,China(Grant Nos.QN2014130and QN2015260)the Key Subject Construction Project of Hebei Province University,China
文摘Based on the experimental phenomena of flexoelectric response at defect sites in nematic inversion walls conducted by Kumar et al., we gave the theoretical analysis using the Frank elastic theory. When a direct-current electric field normal to the plane of the substrate is applied to the parallel aligned nematic liquid crystal cell with weak anchoring, the rotation of 4-1 defects in the narrow inversion walls can be exhibited. The free energy of liquid crystal molecules around the ＋1 and - 1 defect sites in the nematic inversion walls under the electric field was formulated and the electric-field-driven structural changes at the defect site characterized by polar and azimuthal angles of the local director were simulated. The results reveal that the deviation of azimuthal angle induced by flexoelectric effect are consistent with the switching of extinction brushes at the - 1 and -1 defects obtained in the experiment conducted by Kumar et al.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61474104 and 61504131)
文摘Undoped p-type Ga Sb single crystals were annealed at 550–600℃ for 100 h in ambient antimony. The annealed Ga Sb samples were investigated by Hall effect measurement, glow discharge mass spectroscopy（GDMS）, infrared（IR）optical transmission and photoluminescence（PL） spectroscopy. Compared with the as-grown Ga Sb single crystal, the annealed Ga Sb samples have lower hole concentrations and weak native acceptor related PL peaks, indicating the reduction of the concentration of gallium antisite related native acceptor defects. Consequently, the below gap infrared transmission of the Ga Sb samples is enhanced after the thermal treatment. The mechanism about the reduction of the native defect concentration and its influence on the material property were discussed.
文摘To gain a physical insight into the radiation effect on nanowires（NWs）, the time resolved photoluminescence（TRPL）technique is used to investigate the carrier dynamic behaviors in GaAs/AlGaAs core–shell NWs before and after 1-MeV proton irradiation with fluences ranging from 1.0 × 10^（12） cm^（-2） to 3.0 × 10^（13） cm^（-2）. It is found that the degradations of spectral peak intensity and minority carrier lifetime show similar trends against irradiation fluence, which is closely related to the displacement defects induced by irradiation. We also find that the proton irradiation-induced defects behave as Shockley–Read–Hall（SRH） recombination center trapping free carriers. Finally, the defect concentration could be estimated through measuring the minority carrier lifetime.
文摘Software reliability for business applications is becoming a topic of interest in the IT community. An effective method to validate and understand defect behaviour in a software application is Fault Injection. Fault injection involves the deliberate insertion of faults or errors into software in order to determine its response and to study its behaviour. Fault Injection Modeling has demonstrated to be an effective method for study and analysis of defect response, validating fault-tolerant systems, and understanding systems behaviour in the presence of injected faults. The objectives of this study are to measure and analyze defect leakage;Amplification Index (AI) of errors and examine “Domino” effect of defects leaked into subsequent Software Development Life Cycle phases in a business application. The approach endeavour to demonstrate the phasewise impact of leaked defects, through causal analysis and quantitative analysis of defects leakage and amplification index patterns in system built using technology variants (C#, VB 6.0, Java).
基金supported by the National Natural Science Foundation of China(No.22279118)the National Science Fund for Distinguished Young of China(No.22225202)+1 种基金the Special Projects of Henan Province Key Research and Development and Promotion(Science and Technology Research)(No.232102241033)the Young Top Talent Program of Zhongyuan-Yingcai-Jihua(No.30602674).
文摘Electrolysis of water splitting is a clean and sustainable method for hydrogen production without the consumption of fossil fuels or the emission of carbon dioxide.Although a series of non-precious metal catalysts have been developed,they still cannot match the performance of precious metal catalysts in water electrolysis.Ruthenium(Ru),as a noble metal with an ideal cost-to-performance ratio and stable activity,is widely utilized by researchers.However,Ru-sites of electrocatalysts still face several challenges,such as size optimization,structural instability,and electronic structure regulation.This article reviews the design strategies on engineering Ru-based electrocatalysts for efficient water electrolysis,such as atomic-level dispersion,alloying,framework effect,doping,defect engineering,and interface design.And the application progress of precious metal catalysts in the seawater electrolysis was further reviewed and analyzed.These design strategies and their unique advantages provide a valuable theoretical foundation for the future application of Ru-based catalysts in hydrogen production via water electrolysis.
文摘The method of numerical simulation is used to fit the relationship between the photoconductivity in films and the illumination time. The generation and process rule of kinds of different charged defect states during illumination are revealed. It is found surprisingly that the initial photoconductivity determines directly the total account of photoconductivity degradation of sample.
