Monitoring shear deformation of sliding zones is of great significance for understanding the landslide evolution mechanism,in which fiber optic strain sensing has shown great potential.However,the cor-relation between...Monitoring shear deformation of sliding zones is of great significance for understanding the landslide evolution mechanism,in which fiber optic strain sensing has shown great potential.However,the cor-relation between strain measurements of quasi-distributed fiber Bragg grating(FBG)sensing arrays and shear displacements of surrounding soil remains elusive.In this study,a direct shear model test was conducted to simulate the shear deformation of sliding zones,in which the soil internal deformation was captured using FBG strain sensors and the soil surface deformation was measured by particle image velocimetry(PIV).The test results show that there were two main slip surfaces and two secondary ones,developing a spindle-shaped shear band in the soil.The formation of the shear band was successfully captured by FBG sensors.A sinusoidal model was proposed to describe the fiber optic cable deformation behavior.On this basis,the shear displacements and shear band widths were calculated by using strain measurements.This work provides important insight into the deduction of soil shear deformation using soil-embedded FBG strain sensors.展开更多
Pd-based catalysts are extensively employed to catalyze CO oxidative coupling to generate DMO,while the expensive price and high usage of Pd hinder its massive application in industrial production.Designing Pd-based c...Pd-based catalysts are extensively employed to catalyze CO oxidative coupling to generate DMO,while the expensive price and high usage of Pd hinder its massive application in industrial production.Designing Pd-based catalysts with high efficiency and low Pd usage as well as expounding the catalytic mechanisms are significant for the reaction.In this study,we theoretically predict that Pd stripe doping Co(111)surface exhibits excellent performance than pure Pd(111),Pd monolayer supporting on Co(111)and Pd single atom doping Co(111)surface,and clearly expound the catalytic mechanisms through the density functional theory(DFT)calculation and micro-reaction kinetic model analysis.It is obtained that the favorable reaction pathway is COOCH_(3)-COOCH_(3)coupling pathway over these four catalysts,while the rate-controlling step is COOCH_(3)+CO+OCH_(3)→2COOCH_(3)on Pd stripe doping Co(111)surface,which is different from the case(2COOCH_(3)→DMO)on pure Pd(111),Pd monolayer supporting on Co(111)and Pd single atom doping Co(111)surface.This study can contribute a certain reference value for developing Pd-based catalysts with high efficiency and low Pd usage for CO oxidative coupling to DMO.展开更多
Utilizing single atom sites doping into metal oxides to modulate their intrinsic active sites,achieving precise selectivity control in complex organic reactions,is a highly desirable yet challenging endeavor.Meanwhile...Utilizing single atom sites doping into metal oxides to modulate their intrinsic active sites,achieving precise selectivity control in complex organic reactions,is a highly desirable yet challenging endeavor.Meanwhile,identifying the active site also represents a significant obstacle,primarily due to the intricate electronic environment of single atom site doped metal oxide.Herein,a single atom Cu doped TiO_(2)catalyst(Cu_(1)-TiO_(2)) is prepared via a simple“colloid-acid treatment”strategy,which switches aniline oxidation selectivity of TiO_(2) from azoxybenzene to nitrosobenzene,without using additives or changing solvent,while other metal or nonmetal doped TiO_(2) did not possess.Comprehensive mechanistic investigations and DFT calculations unveil that Ti-O active site is responsible for triggering the aniline to form a new PhNOH intermediate,two PhNOH condense to azoxybenzene over TiO_(2) catalyst.As for Cu_(1)-TiO_(2),the charge-specific distribution between the isolated Cu and TiO_(2) generates unique Cu_(1)-O-Ti hybridization structure with nine catalytic active sites,eight of them make PhNOH take place spontaneous dissociation to produce nitrosobenzene.This work not only unveils a new mechanistic pathway featuring the PhNOH intermediate in aniline oxidation for the first time but also presents a novel approach for constructing single-atom doped metal oxides and exploring their intricate active sites.展开更多
甘油是生物质精炼的主要副产物(约占10%),年过剩量与低利用率导致其市场价格(0.24-0.6 US kg^(-1))较低.甘油是具有三个活性羟基的多元醇,被认为是生产高价值产品的理想原料.甲酸作为甘油转化最重要的产品之一,广泛应用于农药、皮革、...甘油是生物质精炼的主要副产物(约占10%),年过剩量与低利用率导致其市场价格(0.24-0.6 US kg^(-1))较低.甘油是具有三个活性羟基的多元醇,被认为是生产高价值产品的理想原料.甲酸作为甘油转化最重要的产品之一,广泛应用于农药、皮革、染料和医药行业,将甘油电氧化(EGOR)为甲酸(FA)不仅能有效避免资源过剩造成浪费,而且能满足未来对甲酸燃料电池的需求.然而甘油电催化氧化途径较为复杂,涉及反应中间产物的脱氢、吸附/解吸和C-C键裂解.本文将密度泛函理论(DFT)与实验相结合,研究了在精细构建的NiCo_(2)O_(4)纳米片上通过EGOR生产FA的反应机制.DFT计算结果表明,活性羟基(OH^(*))物种可以改变EGOR生产FA过程的决速步骤(RDS),通过调节吸附中间体的吸附能可获得理想的FA产率.其中,高度羟基化的NiCo_(2)O_(4)纳米片(311)-OH^(*)晶面上具有最低的吉布斯自由能,能显著提升反应过程动力学.在理论分析的基础上,通过简易的电沉积方法精准制备了超薄NiCo_(2)O_(4)纳米片(~1.7 nm),并采用X射线吸收精细结构谱和高分辨透射电镜对催化剂进行了结构分析.结果表明,NiCo_(2)O_(4)纳米片中四面体(A_(Td))和八面体(B_(Oh))配位具有内角共享的A_(Td)-O-B_(Oh)和边共享的B_(Oh)-O-B_(Oh)构型,金属间的协同作用有效改善了材料的电子效应,有利于提供更多的吸附位点并促进EGOR过程中的电荷转移.NiCo_(2)O_(4)纳米片在EGOR中的电荷转移电阻仅为0.94Ω,电化学活性表面积高达10.25 cm^(2).相比较电催化析氧反应,NiCo_(2)O_(4)纳米片表现出了较好的EGOR性能,在10 mA cm^(-2)的电流密度下阳极功耗降低了320 mV,在100 mA cm^(-2)的电流密度时的阳极电势仅为1.46 VRHE.此外,在120 h的稳定性测试中,甘油的转化率和FA的选择性可分别保持在89%和70%.多电位步骤实验、原位电化学阻抗谱和电子顺磁共振谱结果表明,NiCo_(2)O_(4)纳米片上原位产生的OH^(*)物种是EGOR过程中的直接活性中心,有利于将RDS从甘油酸脱氢裂解转化为甘油醛的脱氢步骤,并进一步促进C-C键的裂解.进一步结合理论预测,证实了OH^(*)物种是EGOR过程中的直接活性中心.综上,采用绿色高效的电催化手段促进甘油生产高附加值化学品是生物质链升级的重要举措,有效避免了传统的高温高压,以水为介质,原位利用OH^(*).本文为新型催化剂的未来设计和理解生物质基原料电氧化升级反应机制提供了新思路.展开更多
Maffucci syndrome is a congenital, non-hereditary mesodermal dysplasia manifested by multiple enchondromas and hemangiomas. It is associated with diverse secondary musculoskeletal deformities, which is exceedingly rar...Maffucci syndrome is a congenital, non-hereditary mesodermal dysplasia manifested by multiple enchondromas and hemangiomas. It is associated with diverse secondary musculoskeletal deformities, which is exceedingly rare. We report a case of hemangiomas and enchondromas localized in the unilateral limb in a patient with Maffucci syndrome. Treatment consists of orthopedic and surgical intervention to minimize deformities and for cosmetic purpose. Careful surveillance for malignant degeneration of both skeletal and non-skeletal tumors, especially in the brain and abdomen, is essential.展开更多
Erosion can influence cathode life,and is thus considered to be one of the main factors limiting the application of applied-field magnetoplasmadynamic thrusters.In this paper,erosion sites on graphite cathodes are stu...Erosion can influence cathode life,and is thus considered to be one of the main factors limiting the application of applied-field magnetoplasmadynamic thrusters.In this paper,erosion sites on graphite cathodes are studied so as to identify the influence of applied magnetic field and the ratio of propellant mass flow rate supplied from cathode and anode.The experiment results show that the application of applied magnetic field can significantly reduce the erosion rate of the cathode compared to that without magnetic field.The erosion sites on the cathode vary with the relative position of the convergent-divergent magnetic field,and are mainly distributed in the divergent part of the field.The erosion sites on the cathodes are found to be related to the propellant supply.The decreasing anode mass flow rate enlarges the range of erosion.These results are much helpful for the analysis of cathode erosion site location since they provide evidences of erosion mechanisms and point out the directions for further research.展开更多
The formation mechanism of methane (CH4) during coal evolution has been investigated by density functional theory (DFT) of quantum chemistry. Thermogenic gas, which is generated during the thermal evolution of med...The formation mechanism of methane (CH4) during coal evolution has been investigated by density functional theory (DFT) of quantum chemistry. Thermogenic gas, which is generated during the thermal evolution of medium rank coal, is the main source of coalbed methane (CBM). Ethylbenzene (A) and 6,7-dimethyl-5,6,7,8-tetrahydro-1-hydroxynaphthalene (B) have been used as model compounds to study the pyrolysis mechanism of highly volatile bituminous coal (R), according to the similarity of bond orders and bond lengths. All possible paths are designed for each model. It can be concluded that the activation energies for H-assisted paths are lower than others in the process of methane formation; an H radical attacking on β-C to yield CH4 is the dominant path for the formation of CH4 from highly volatile bituminous coal. In addition, the calculated results also reveal that the positions on which H radical attacks and to which intramolecular H migrates have effects on methyl cleavage.展开更多
Objective:To compare the outcomes of dynamic hip screws(DHS)and intramedullary nailing(IMN)in the treatment of extra-capsular metastatic carcinoma of the proximal femur.Methods:A retrospective case analysis method was...Objective:To compare the outcomes of dynamic hip screws(DHS)and intramedullary nailing(IMN)in the treatment of extra-capsular metastatic carcinoma of the proximal femur.Methods:A retrospective case analysis method was used to examine data of patients with proximal metastatic cancer of the femur who were treated with internal fixation in Department of Orthopaedics,Beijing Friendship Hospital,from January 2007 to December 2018.Blood loss,postoperative pain,functional score,length of stay,and survival rates were compared,and postoperative complications were assessed.Results:Complete follow-up data were available for 33 patients.The mean follow-up period was 12.2±3.6(range:9-32)months and the average age was 72.3±4.7(range:59-83)years old.There were 20 females and 13 males.Twenty-three patients had undergone IMN and 10 DHS,according to bone defects and the patient’s overall condition.The median survival time was 10 months in the IMN group and 11 months in the DHS group.Duration of surgery(t=-7.366,P<0.001)and length of hospital stay(t=-3.509,P<0.001)differed significantly between the two groups.There was one case of breakage of internal fixation in the IMN group.Conclusions:There was no significant difference between DHS and IMN in terms of surgical efficacy.IMN and DHS were different in terms of surgical time and hospital stay.However,due to the limited number of cases in this study,multi-factor analysis has not been performed and needs to be further verified in future analysis.When developing a surgical plan,it is recommended to consider the patient’s condition and the surgeon’s experience.展开更多
Objective: To evaluate the clinical and functional outcomes of modular endoprosthetic replacement (EPR) compared to proximal femur intramedullary nailing (IMN) for the treatment of proximal femur metastases. Meth...Objective: To evaluate the clinical and functional outcomes of modular endoprosthetic replacement (EPR) compared to proximal femur intramedullary nailing (IMN) for the treatment of proximal femur metastases. Methods: We retrospectively studied the records of patients with proximal femur metastatic lesions treated with surgical stabilization between January 2007 and December 2014 in terms of operation time, blood loss, postoperative score, soreness, Karnofsky performance score (KPS) and survival time. Results: There were 34 patients treated with surgical stabilization. The mean follow-up period was 12.1~8.6 months (range: 10-47 months). Thirteen were treated with EPR and 21 were stabilized with IMN (20 males, 14 females; mean age: 68.7 years). The median survival time was 11.0 months for both groups (P=0.147). The operation time, blood loss and Harris score of IMN group were lower than those of EPR group (P=0.001, P=0.001, P=0.002, respectively). Conclusions: Both EPR and IMN for treating proximal femur metastasis achieved effective clinical outcomes. Therefore, the suitable surgical methods depended on the general conditions and medical requirements of patients, as well as the technical advantages of the doctor.展开更多
A density-functional theory(DFT)method has been conducted to systematically investigate the adsorption of CHx(x=0~4)as well as the dissociation of CHx(x=1~4)on(111)facets of gold-alloyed Ni surface.The resul...A density-functional theory(DFT)method has been conducted to systematically investigate the adsorption of CHx(x=0~4)as well as the dissociation of CHx(x=1~4)on(111)facets of gold-alloyed Ni surface.The results have been compared with those obtained on pure Ni(111)surface.It shows that the adsorption energies of CHx(x=1~3)are lower,and the reaction barriers of CH4 dissociation are higher in the first and the fourth steps on gold-alloyed Ni(111)compared with those on pure Ni(111).In particular,the rate-determining step for CH4 dissociation is considered as the first step of dehydrogenation on gold-alloyed Ni(111),while it is the fourth step of dehydrogenation on pure Ni(111).Furthermore,the activation barrier in rate-determining step is higher by 0.41 eV on gold-alloyed Ni(111)than that on pure Ni(111).From above results,it can be concluded that carbon is not easy to form on gold-alloyed Ni(111)compared with that on pure Ni(111).展开更多
Lightweight and efficient carbon-based microwave absorbents are significant in addressing the increasing severity of electromagnetic pollution.In this study,hierarchical NiO/Ni nanosheets with a tuneable phase and mor...Lightweight and efficient carbon-based microwave absorbents are significant in addressing the increasing severity of electromagnetic pollution.In this study,hierarchical NiO/Ni nanosheets with a tuneable phase and morphology supported on a carbon fiber substrate(CF@NiO/Ni)were fabricated using a hydrothermal approach and post-annealing treatment.As the annealing temperature increases,more metallic Ni is formed,and an apparent porosity appears on the sheet surface.Benefiting from the advantages of a three-dimensional(3D)conducting network,hierarchical porous structure,reinforced dipole/interface polarization,multiple scattering,and good impedance matching,the CF@NiO/Ni-500 composite exhibits an excellent microwave absorption performance even at a filling rate of only 3wt%.Specifically,its minimal reflection loss is-43.92 dB,and the qualified bandwidth is up to 5.64 GHz.In addition,the low radar cross-section area of the CF@NiO/Ni composite coating confirms its strong ability to suppress electromagnetic wave scattering.We expect that this work could contribute to a deeper understanding of the phase and morphology evolution in enhancing microwave absorption.展开更多
The mechanism of syngas to ethanol on MoCu(211)surface has been researched by density functional theory(DFT)calculation,and the effects of Mo as a promoter on C-O bond breaking and C-C bond formation have been discuss...The mechanism of syngas to ethanol on MoCu(211)surface has been researched by density functional theory(DFT)calculation,and the effects of Mo as a promoter on C-O bond breaking and C-C bond formation have been discussed.Calculations show that Cu-Mo atoms constitute the active sites on MoCu(211)surface after Mo atom being served as a promoter of Cu catalyst.Compared with Cu(211),MoCu(211)has two improvements.Firstly,CH_(3) is the most advantageous monomer on the MoCu(211)surface,which provides abundant CH_(3) intermediate for syngas to ethanol.Secondly,the C-C bond is formed mainly by inserting CHO into the abundant CH_(3),and the generated CH_(3)CHO through multiple steps of hydrogenation to generate C_(2)H_(5)OH.The key of the promoter Mo on the MoCu(211)surface also has been verified by the analysis of its electronic properties.Differential charge density shows that the massive electron transfer from Mo to Cu,projected density of states(pDOS)shows that the electron transfer from Mo to Cu makes the d-band center of MoCu(211)nearer to the Fermi level,these indicate that the MoCu(211)catalytic capacity increased.The addition of Mo in the Cu-based catalyst not only can effectively solve the problem of C-O bond breaking,but also promote C-C bond formation.About the influence of Mo content on C-O bond breaking and C-C bond formation,compared with MoCu(211),the DFT results and the d-band center of Mo_(2)Cu(211)show that the increase of Mo content could not promote the synergistic effect of Cu/Mo on the generation of ethanol more effectively.展开更多
Rely on the density functional theory(DFT)calculation,the catalytic performance of Pd_(x)Cu_(y)/GDY(x=1,2,3,4;x+y≤4)for CO oxidative coupling reaction was obtained.The Pdx/GDY(x=1,2,3,4)are not ideal catalyst for dim...Rely on the density functional theory(DFT)calculation,the catalytic performance of Pd_(x)Cu_(y)/GDY(x=1,2,3,4;x+y≤4)for CO oxidative coupling reaction was obtained.The Pdx/GDY(x=1,2,3,4)are not ideal catalyst for dimethyl oxalate(DMO)formation because byproduct dimethyl carbonate(DMC)is easily formed on Pd_(1)/GDY and Pd_(2)/GDY,and high activation energies are needed on Pd_(3)/GDY and Pd_(4)/GDY.Therefore the second metal Cu is doped to regulate the performance of Pdx/GDY(x=1,2,3,4).Doping Cu not only improve the activity of DMO formation,but more importantly,controlling the ratio of Cu:Pd can effectively regulate the selectivity of DMO.Thus taking into account the activity and selectivity of the reaction for the preparation of DMO by CO oxidative coupling,the Pd_(1)Cu_(1)/GDY and Pd_(1)Cu_(2)/GDY with the activation energies of 105.2 and 99.2 kJ mol^(-1)to generate DMO show excellent catalytic activity and high DMO selectivity,which are considered as good catalysts for CO oxidative coupling.The differential charge density analysis shows the decrease in the charge density of metal clusters is an important reason for improving the selectivity of the catalyst.展开更多
In the conversion process of syngas-to-C_(2)species,the OH species are inevitably produced accompanying the production of key intermediates CH_(x)(x=1-3),traditionally,the function of surface OH species is generally a...In the conversion process of syngas-to-C_(2)species,the OH species are inevitably produced accompanying the production of key intermediates CH_(x)(x=1-3),traditionally,the function of surface OH species is generally accepted as the hydrogenating reactive species.This work for the first time proposed and confirmed the assisted catalytic mechanism of surface OH species that performed as the promoter for syngas-to-C_(2)species on Cu-based catalysts.DFT and microkinetic modeling results reveal that the produced OH species accompanying the intermediates CH_(x)production on the MCu(M=Co,Fe,Rh)catalysts can stably exist to form OH/MCu catalysts,on which the presence of surface OH species as the promoter not only presented better activity and selectivity toward CH_(x)(x=1-3)compared to MCu catalysts,but also significantly suppressed CH_(3)OH production,providing enough CH_(x)sources to favor the production of C_(2)hydrocarbons and oxygenates.Correspondingly,the electronic properties analysis revealed the essential relationship between the electronic feature of OH/MCu catalysts and catalytic performance,attributing to the unique electronic micro-environment of the catalysts under the interaction of surface OH species.This new mechanism is called as OH-assisted catalytic mechanism,which may be applied in the reaction systems related to the generation of OH species.展开更多
BACKGROUND: Previous studies about blood oxygenation-level dependent (BOLD) functional MRI (fMRI) have indicated that the poststroke recovery of motor function is accompanied by the selective activation of motor ...BACKGROUND: Previous studies about blood oxygenation-level dependent (BOLD) functional MRI (fMRI) have indicated that the poststroke recovery of motor function is accompanied by the selective activation of motor cortexes with high correlation. OBJECTIVE: To evaluate the short-term outcomes after rehabilitative interventions with BOLD fMRI in hemiplegic patients with acute stroke, and analyze the correlation of the excitement of brain function in the passive and active movements of the affected limb with the recovery of motor function. DESIGN : A case observation.SETTING: Department of Neurology, Baotou Central Hospital.PARTICIPANTS: Thirty hemiplegic inpatients with ischemic stroke were selected from the Department of Neurology, Baotou Central Hospital from January to December in 2005, including 16 males and 14 females, aging 44-71 years with an average age of (56±5) years, and the disease course ranged from 12 to 72 hours. Inclusive criteria: In accordance with the diagnostic standard of ischemic stroke revised by the Fourth National Academic Meeting for Cerebrovascular Disease; Confirmed by cranial CT or MRI. They were all informed agreed with the detected items. METHODS : ① The Bobath technique was adopted in the rehabilitative interventions of the 30 patients, 30 minutes for each time, twice a day for three weeks continuously. ② The hand motor recovery of the stroke patients was graded by the Brunnstrom stages ( Ⅰ -Ⅵ), and be able to grasp various objects and extend for the whole range was taken as grade Ⅵ. ③ The patients were examined with fMRI BOLD before rehabilitation and 3 weeks after rehabilitation. All the patients were trained with finger movements, the distracting thoughts should be eliminated as much as possible especially during the movement phase, the patients should highly concentrate on the hand movements. The range for the finger movements should be as large as possible with moderate frequency. The hand movements should be 10 s with an interval of 30 s. Te AVANTO 1.5T MRI machine (Siemens Company, Germany) was used for scanning, the 30 s before fMRI BOLD scanning was the adaptation phase for the patients, and the finger movements were alternated for 6-10 times till the end of the scanning. MAIN OUTCOME MEASURES : Differences after rehabilitation evaluated by the activations of different sensorimotor cortex in the hemiplegic patients with acute stroke. RESULTS: ① In passive and active movements of the affected hand, 5 cases of Brunnstrom grade Ⅰ or Ⅱ were manifested by the activation of unilateral sensorimotor cortex (SMC) of the hemiplegic side, and they were Brunnstrom grade Ⅱ after 3-week rehabilitation, and 1 case with activations of bilateral SMC recovered to Brunnstrom grade Ⅲ. ② Among the patients of Brunnstrom grade Ⅲ or Ⅳ, 5 cases were unilaterally activated, and had no changes after 3-week rehabilitation; Whereas of the 9 cases of bilateral activations, 3 recovered to grade Ⅵ and 6 recovered to grade Ⅴ after 3-week rehabilitation. ③ In the passive and active movements of the affected hand, all the cases of Brunnstrom grades Ⅴ and Ⅵ were manifested by the activations of bilateral SMC. After 3-week rehabilitation, 2 of the 4 cases of grade Ⅴ recovered to grade Ⅵ, and the other 2 recovered to normal; Whereas 5 of the 6 cases of grade Ⅵ recovered to normal, and the other 1 was still grade Ⅵ. CONCLUSION : BOLD fMRI showed that the outcomes of short-term rehabilitation in the patients with bilateral activations were obvious, whereas the outcomes were bad in the patients whose ipsilateral cortexes were activated. The activated signal in ipsilateral or bilateral SMC and the activation of supplementary motor area in active movements were greater than those in the passive ones.展开更多
The properties of surface magnetoplasmon polaritons(SMPPs)in a symmetric structure,composed of two semi-infinite regions of high-density two-dimensional electron gas(2DEG)separated by a thin film in Voigt configuratio...The properties of surface magnetoplasmon polaritons(SMPPs)in a symmetric structure,composed of two semi-infinite regions of high-density two-dimensional electron gas(2DEG)separated by a thin film in Voigt configuration,are investigated.The normal and absorption dispersion relations for the transverse magnetic polarization are derived by correlating Maxwell’s equation and the boundary conditions.It is demonstrated that the features of SMPPs are greatly influenced by the external magnetic field,collision frequency of 2DEG,the dielectric constant,and the thickness of the thin film,suggesting that the locations and propagation lengths of SMPPs can be governed accordingly.It is shown that the symmetry of the physical geometry preserves the symmetry of the dispersion relations of SMPPs.Furthermore,it is discovered that as the external magnetic field increases,the penetration depth of SMPPs decreases,while their energy loss reduces,implying that plasmons can propagate for longer distances.Additionally,it is observed that SMPPs in the symmetric configuration have a longer lifetime than those in the asymmetric configuration.展开更多
The properties of surface plasmon polaritons(SPPs) excited in the plasma-dielectric-magnetic plasma structure are investigated theoretically. Both the normal and the absorbing dispersion relations of SPPs are derived ...The properties of surface plasmon polaritons(SPPs) excited in the plasma-dielectric-magnetic plasma structure are investigated theoretically. Both the normal and the absorbing dispersion relations of SPPs are derived and presented for transverse-magnetic polarization. The influences of the external magnetic field, collision frequency of plasma, background material dielectric constant,and thickness on the characteristics of SPPs are explored and discussed. Results show that these factors greatly alter the properties of SPPs. The results imply that the locations and propagation length of SPPs can be tuned. In addition, the results also show that a one-way dispersion relation of SPPs can be realized in the low-frequency regions when the external magnetic field is introduced.展开更多
C_(2)H_(2)semi-hydrogenation has been widely applied in industry to eliminate trace C_(2)H_(2)from C_(2)H_(4)feed.C_(2)H_(2)semi-hydrogenation to C_(2)H_(4)on a series of the newly designed catalysts,graphdiyne(GDY)as...C_(2)H_(2)semi-hydrogenation has been widely applied in industry to eliminate trace C_(2)H_(2)from C_(2)H_(4)feed.C_(2)H_(2)semi-hydrogenation to C_(2)H_(4)on a series of the newly designed catalysts,graphdiyne(GDY)as a new carbon allotrope supported different sizes of Pd_(x)M_(y)clusters(Pd_(x)M_(y)/GDY,M=Cu,Ag,Au,Ni;x+y=1-3),were studied using DFT calculations.The results found that C_(2)H_(2)semi-hydrogenation to C_(2)H_(4)on Pd_(x)M_(y)/GDY catalysts exhibits that both the activity and selectivity greatly depend on the composition and size of Pd_(x)M_(y)/GDY catalysts.Surprisingly,our results for the first time discovered the Pd_(1)/GDY catalyst with GDY supported the single atom Pd that presents the best selectivity and activity toward C_(2)H_(4)formation compared to the previously reported catalysts so far in C_(2)H_(2)semi-hydrogenation.This study would provide a theoretical clue for designing and screening out the potential catalysts with GDY supported small sizes of Pd_(x)M_(y)and other metal clusters in C_(2)H_(2)hydrogenation.展开更多
In order to make use of ocean clay reasonably and excavate its potential applications the properties of ocean clay in Chinese investigating area of the East Pacific have been tested with the chemical analysis, XRFS, I...In order to make use of ocean clay reasonably and excavate its potential applications the properties of ocean clay in Chinese investigating area of the East Pacific have been tested with the chemical analysis, XRFS, ICP/MAS, granulometry and SSA, etc. The results show that the clay sediments of this area are rich in clay minerals, fine granularity, bigger SSA, bigger water absorbability and lower ion changing ability etc. To improve the adaptability of ocean clay and macromolecule materials, using the dry milling method with silane, aluminate, stearic acid coupling agents etc the properties of ocean clay are improved. The effect has been evaluated by testing the water absorbing of the modified ocean clay and their dispersing in paraffin liquid. The result is that KH550 is better than any other active reagents, and the best activation technics is that 1.5% (volume) of KH550 quantity, 20min of milling time. The DTA, XRD, SEM and IR analyses and SSA testing show that the organic activation can not change the mineral structure but can densify the structure of clay, and activation mechanism is chemical covered mainly and chemical combined secondly.展开更多
基金This work was financially supported by the National Natural Science Foundation of China(Grant Nos.42225702 and 42077235)the Open Research Project Program of the State Key Laboratory of Internet of Things for Smart City(University of Macao)(Grant No.SKL-IoTSC(UM)-2021-2023/ORP/GA10/2022)。
文摘Monitoring shear deformation of sliding zones is of great significance for understanding the landslide evolution mechanism,in which fiber optic strain sensing has shown great potential.However,the cor-relation between strain measurements of quasi-distributed fiber Bragg grating(FBG)sensing arrays and shear displacements of surrounding soil remains elusive.In this study,a direct shear model test was conducted to simulate the shear deformation of sliding zones,in which the soil internal deformation was captured using FBG strain sensors and the soil surface deformation was measured by particle image velocimetry(PIV).The test results show that there were two main slip surfaces and two secondary ones,developing a spindle-shaped shear band in the soil.The formation of the shear band was successfully captured by FBG sensors.A sinusoidal model was proposed to describe the fiber optic cable deformation behavior.On this basis,the shear displacements and shear band widths were calculated by using strain measurements.This work provides important insight into the deduction of soil shear deformation using soil-embedded FBG strain sensors.
基金financially supported by the National Key Research and Development Program of China(2021YFA1502804)the Regional Innovation and Development Joint Fund of the National Natural Science Foundation of China(U22A20430)+3 种基金the Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering(2022SX-FR001)the Natural Science Foundation of Shanxi Province(202203021212201)the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxithe Foundation of Taiyuan University of Technology(2022QN138)
文摘Pd-based catalysts are extensively employed to catalyze CO oxidative coupling to generate DMO,while the expensive price and high usage of Pd hinder its massive application in industrial production.Designing Pd-based catalysts with high efficiency and low Pd usage as well as expounding the catalytic mechanisms are significant for the reaction.In this study,we theoretically predict that Pd stripe doping Co(111)surface exhibits excellent performance than pure Pd(111),Pd monolayer supporting on Co(111)and Pd single atom doping Co(111)surface,and clearly expound the catalytic mechanisms through the density functional theory(DFT)calculation and micro-reaction kinetic model analysis.It is obtained that the favorable reaction pathway is COOCH_(3)-COOCH_(3)coupling pathway over these four catalysts,while the rate-controlling step is COOCH_(3)+CO+OCH_(3)→2COOCH_(3)on Pd stripe doping Co(111)surface,which is different from the case(2COOCH_(3)→DMO)on pure Pd(111),Pd monolayer supporting on Co(111)and Pd single atom doping Co(111)surface.This study can contribute a certain reference value for developing Pd-based catalysts with high efficiency and low Pd usage for CO oxidative coupling to DMO.
文摘Utilizing single atom sites doping into metal oxides to modulate their intrinsic active sites,achieving precise selectivity control in complex organic reactions,is a highly desirable yet challenging endeavor.Meanwhile,identifying the active site also represents a significant obstacle,primarily due to the intricate electronic environment of single atom site doped metal oxide.Herein,a single atom Cu doped TiO_(2)catalyst(Cu_(1)-TiO_(2)) is prepared via a simple“colloid-acid treatment”strategy,which switches aniline oxidation selectivity of TiO_(2) from azoxybenzene to nitrosobenzene,without using additives or changing solvent,while other metal or nonmetal doped TiO_(2) did not possess.Comprehensive mechanistic investigations and DFT calculations unveil that Ti-O active site is responsible for triggering the aniline to form a new PhNOH intermediate,two PhNOH condense to azoxybenzene over TiO_(2) catalyst.As for Cu_(1)-TiO_(2),the charge-specific distribution between the isolated Cu and TiO_(2) generates unique Cu_(1)-O-Ti hybridization structure with nine catalytic active sites,eight of them make PhNOH take place spontaneous dissociation to produce nitrosobenzene.This work not only unveils a new mechanistic pathway featuring the PhNOH intermediate in aniline oxidation for the first time but also presents a novel approach for constructing single-atom doped metal oxides and exploring their intricate active sites.
文摘甘油是生物质精炼的主要副产物(约占10%),年过剩量与低利用率导致其市场价格(0.24-0.6 US kg^(-1))较低.甘油是具有三个活性羟基的多元醇,被认为是生产高价值产品的理想原料.甲酸作为甘油转化最重要的产品之一,广泛应用于农药、皮革、染料和医药行业,将甘油电氧化(EGOR)为甲酸(FA)不仅能有效避免资源过剩造成浪费,而且能满足未来对甲酸燃料电池的需求.然而甘油电催化氧化途径较为复杂,涉及反应中间产物的脱氢、吸附/解吸和C-C键裂解.本文将密度泛函理论(DFT)与实验相结合,研究了在精细构建的NiCo_(2)O_(4)纳米片上通过EGOR生产FA的反应机制.DFT计算结果表明,活性羟基(OH^(*))物种可以改变EGOR生产FA过程的决速步骤(RDS),通过调节吸附中间体的吸附能可获得理想的FA产率.其中,高度羟基化的NiCo_(2)O_(4)纳米片(311)-OH^(*)晶面上具有最低的吉布斯自由能,能显著提升反应过程动力学.在理论分析的基础上,通过简易的电沉积方法精准制备了超薄NiCo_(2)O_(4)纳米片(~1.7 nm),并采用X射线吸收精细结构谱和高分辨透射电镜对催化剂进行了结构分析.结果表明,NiCo_(2)O_(4)纳米片中四面体(A_(Td))和八面体(B_(Oh))配位具有内角共享的A_(Td)-O-B_(Oh)和边共享的B_(Oh)-O-B_(Oh)构型,金属间的协同作用有效改善了材料的电子效应,有利于提供更多的吸附位点并促进EGOR过程中的电荷转移.NiCo_(2)O_(4)纳米片在EGOR中的电荷转移电阻仅为0.94Ω,电化学活性表面积高达10.25 cm^(2).相比较电催化析氧反应,NiCo_(2)O_(4)纳米片表现出了较好的EGOR性能,在10 mA cm^(-2)的电流密度下阳极功耗降低了320 mV,在100 mA cm^(-2)的电流密度时的阳极电势仅为1.46 VRHE.此外,在120 h的稳定性测试中,甘油的转化率和FA的选择性可分别保持在89%和70%.多电位步骤实验、原位电化学阻抗谱和电子顺磁共振谱结果表明,NiCo_(2)O_(4)纳米片上原位产生的OH^(*)物种是EGOR过程中的直接活性中心,有利于将RDS从甘油酸脱氢裂解转化为甘油醛的脱氢步骤,并进一步促进C-C键的裂解.进一步结合理论预测,证实了OH^(*)物种是EGOR过程中的直接活性中心.综上,采用绿色高效的电催化手段促进甘油生产高附加值化学品是生物质链升级的重要举措,有效避免了传统的高温高压,以水为介质,原位利用OH^(*).本文为新型催化剂的未来设计和理解生物质基原料电氧化升级反应机制提供了新思路.
文摘Maffucci syndrome is a congenital, non-hereditary mesodermal dysplasia manifested by multiple enchondromas and hemangiomas. It is associated with diverse secondary musculoskeletal deformities, which is exceedingly rare. We report a case of hemangiomas and enchondromas localized in the unilateral limb in a patient with Maffucci syndrome. Treatment consists of orthopedic and surgical intervention to minimize deformities and for cosmetic purpose. Careful surveillance for malignant degeneration of both skeletal and non-skeletal tumors, especially in the brain and abdomen, is essential.
基金supported by the Fundamental Research Program(No.11872093)。
文摘Erosion can influence cathode life,and is thus considered to be one of the main factors limiting the application of applied-field magnetoplasmadynamic thrusters.In this paper,erosion sites on graphite cathodes are studied so as to identify the influence of applied magnetic field and the ratio of propellant mass flow rate supplied from cathode and anode.The experiment results show that the application of applied magnetic field can significantly reduce the erosion rate of the cathode compared to that without magnetic field.The erosion sites on the cathode vary with the relative position of the convergent-divergent magnetic field,and are mainly distributed in the divergent part of the field.The erosion sites on the cathodes are found to be related to the propellant supply.The decreasing anode mass flow rate enlarges the range of erosion.These results are much helpful for the analysis of cathode erosion site location since they provide evidences of erosion mechanisms and point out the directions for further research.
基金supported by the Major Projects of National Science and Technology(Grant No.2011ZX05040-005-002-001)the National Natural Science Foundation of China(Grant No.21276171 and 21276003)+1 种基金the National Younger Natural Science Foundation of China(Grant No.21103120)China Postdoctoral Science Foundation(Grant No.2012M520608)
文摘The formation mechanism of methane (CH4) during coal evolution has been investigated by density functional theory (DFT) of quantum chemistry. Thermogenic gas, which is generated during the thermal evolution of medium rank coal, is the main source of coalbed methane (CBM). Ethylbenzene (A) and 6,7-dimethyl-5,6,7,8-tetrahydro-1-hydroxynaphthalene (B) have been used as model compounds to study the pyrolysis mechanism of highly volatile bituminous coal (R), according to the similarity of bond orders and bond lengths. All possible paths are designed for each model. It can be concluded that the activation energies for H-assisted paths are lower than others in the process of methane formation; an H radical attacking on β-C to yield CH4 is the dominant path for the formation of CH4 from highly volatile bituminous coal. In addition, the calculated results also reveal that the positions on which H radical attacks and to which intramolecular H migrates have effects on methyl cleavage.
基金Capital’s Funds for Health Improvement and Research(No.2018-1-2072)。
文摘Objective:To compare the outcomes of dynamic hip screws(DHS)and intramedullary nailing(IMN)in the treatment of extra-capsular metastatic carcinoma of the proximal femur.Methods:A retrospective case analysis method was used to examine data of patients with proximal metastatic cancer of the femur who were treated with internal fixation in Department of Orthopaedics,Beijing Friendship Hospital,from January 2007 to December 2018.Blood loss,postoperative pain,functional score,length of stay,and survival rates were compared,and postoperative complications were assessed.Results:Complete follow-up data were available for 33 patients.The mean follow-up period was 12.2±3.6(range:9-32)months and the average age was 72.3±4.7(range:59-83)years old.There were 20 females and 13 males.Twenty-three patients had undergone IMN and 10 DHS,according to bone defects and the patient’s overall condition.The median survival time was 10 months in the IMN group and 11 months in the DHS group.Duration of surgery(t=-7.366,P<0.001)and length of hospital stay(t=-3.509,P<0.001)differed significantly between the two groups.There was one case of breakage of internal fixation in the IMN group.Conclusions:There was no significant difference between DHS and IMN in terms of surgical efficacy.IMN and DHS were different in terms of surgical time and hospital stay.However,due to the limited number of cases in this study,multi-factor analysis has not been performed and needs to be further verified in future analysis.When developing a surgical plan,it is recommended to consider the patient’s condition and the surgeon’s experience.
文摘Objective: To evaluate the clinical and functional outcomes of modular endoprosthetic replacement (EPR) compared to proximal femur intramedullary nailing (IMN) for the treatment of proximal femur metastases. Methods: We retrospectively studied the records of patients with proximal femur metastatic lesions treated with surgical stabilization between January 2007 and December 2014 in terms of operation time, blood loss, postoperative score, soreness, Karnofsky performance score (KPS) and survival time. Results: There were 34 patients treated with surgical stabilization. The mean follow-up period was 12.1~8.6 months (range: 10-47 months). Thirteen were treated with EPR and 21 were stabilized with IMN (20 males, 14 females; mean age: 68.7 years). The median survival time was 11.0 months for both groups (P=0.147). The operation time, blood loss and Harris score of IMN group were lower than those of EPR group (P=0.001, P=0.001, P=0.002, respectively). Conclusions: Both EPR and IMN for treating proximal femur metastasis achieved effective clinical outcomes. Therefore, the suitable surgical methods depended on the general conditions and medical requirements of patients, as well as the technical advantages of the doctor.
基金supported financially by the National Basic Research Program of China(No.2005CB221203)the National Natural Science Foundation of China(No.20976115)the National Younger Natural Science Foundation of China(No.20906066)
文摘A density-functional theory(DFT)method has been conducted to systematically investigate the adsorption of CHx(x=0~4)as well as the dissociation of CHx(x=1~4)on(111)facets of gold-alloyed Ni surface.The results have been compared with those obtained on pure Ni(111)surface.It shows that the adsorption energies of CHx(x=1~3)are lower,and the reaction barriers of CH4 dissociation are higher in the first and the fourth steps on gold-alloyed Ni(111)compared with those on pure Ni(111).In particular,the rate-determining step for CH4 dissociation is considered as the first step of dehydrogenation on gold-alloyed Ni(111),while it is the fourth step of dehydrogenation on pure Ni(111).Furthermore,the activation barrier in rate-determining step is higher by 0.41 eV on gold-alloyed Ni(111)than that on pure Ni(111).From above results,it can be concluded that carbon is not easy to form on gold-alloyed Ni(111)compared with that on pure Ni(111).
基金financially supported by the National Natural Science Foundation of China(Nos.51872002 and 52172174)the key research and development projects in Anhui province,China(No.202004a07020026)。
文摘Lightweight and efficient carbon-based microwave absorbents are significant in addressing the increasing severity of electromagnetic pollution.In this study,hierarchical NiO/Ni nanosheets with a tuneable phase and morphology supported on a carbon fiber substrate(CF@NiO/Ni)were fabricated using a hydrothermal approach and post-annealing treatment.As the annealing temperature increases,more metallic Ni is formed,and an apparent porosity appears on the sheet surface.Benefiting from the advantages of a three-dimensional(3D)conducting network,hierarchical porous structure,reinforced dipole/interface polarization,multiple scattering,and good impedance matching,the CF@NiO/Ni-500 composite exhibits an excellent microwave absorption performance even at a filling rate of only 3wt%.Specifically,its minimal reflection loss is-43.92 dB,and the qualified bandwidth is up to 5.64 GHz.In addition,the low radar cross-section area of the CF@NiO/Ni composite coating confirms its strong ability to suppress electromagnetic wave scattering.We expect that this work could contribute to a deeper understanding of the phase and morphology evolution in enhancing microwave absorption.
基金financially supported by the Key Projects of National Natural Science Foundation of China(21736007)the National Natural Science Foundation of China(21776193,21476155)。
文摘The mechanism of syngas to ethanol on MoCu(211)surface has been researched by density functional theory(DFT)calculation,and the effects of Mo as a promoter on C-O bond breaking and C-C bond formation have been discussed.Calculations show that Cu-Mo atoms constitute the active sites on MoCu(211)surface after Mo atom being served as a promoter of Cu catalyst.Compared with Cu(211),MoCu(211)has two improvements.Firstly,CH_(3) is the most advantageous monomer on the MoCu(211)surface,which provides abundant CH_(3) intermediate for syngas to ethanol.Secondly,the C-C bond is formed mainly by inserting CHO into the abundant CH_(3),and the generated CH_(3)CHO through multiple steps of hydrogenation to generate C_(2)H_(5)OH.The key of the promoter Mo on the MoCu(211)surface also has been verified by the analysis of its electronic properties.Differential charge density shows that the massive electron transfer from Mo to Cu,projected density of states(pDOS)shows that the electron transfer from Mo to Cu makes the d-band center of MoCu(211)nearer to the Fermi level,these indicate that the MoCu(211)catalytic capacity increased.The addition of Mo in the Cu-based catalyst not only can effectively solve the problem of C-O bond breaking,but also promote C-C bond formation.About the influence of Mo content on C-O bond breaking and C-C bond formation,compared with MoCu(211),the DFT results and the d-band center of Mo_(2)Cu(211)show that the increase of Mo content could not promote the synergistic effect of Cu/Mo on the generation of ethanol more effectively.
基金financially supported by the Key projects of National Natural Science Foundation of China(No.21736007)the National Natural Science Foundation of China(Grant Nos.21576178 and 21476155)Research Project Supported by Shanxi Scholarship Council of China(No.2016-030)。
文摘Rely on the density functional theory(DFT)calculation,the catalytic performance of Pd_(x)Cu_(y)/GDY(x=1,2,3,4;x+y≤4)for CO oxidative coupling reaction was obtained.The Pdx/GDY(x=1,2,3,4)are not ideal catalyst for dimethyl oxalate(DMO)formation because byproduct dimethyl carbonate(DMC)is easily formed on Pd_(1)/GDY and Pd_(2)/GDY,and high activation energies are needed on Pd_(3)/GDY and Pd_(4)/GDY.Therefore the second metal Cu is doped to regulate the performance of Pdx/GDY(x=1,2,3,4).Doping Cu not only improve the activity of DMO formation,but more importantly,controlling the ratio of Cu:Pd can effectively regulate the selectivity of DMO.Thus taking into account the activity and selectivity of the reaction for the preparation of DMO by CO oxidative coupling,the Pd_(1)Cu_(1)/GDY and Pd_(1)Cu_(2)/GDY with the activation energies of 105.2 and 99.2 kJ mol^(-1)to generate DMO show excellent catalytic activity and high DMO selectivity,which are considered as good catalysts for CO oxidative coupling.The differential charge density analysis shows the decrease in the charge density of metal clusters is an important reason for improving the selectivity of the catalyst.
基金financially supported by Key Projects of National Natural Science Foundation of China(No.21736007)National Natural Science Foundation of China(Nos.22078221,21776193,21476155)Top Young Innovative Talents of Shanxi。
文摘In the conversion process of syngas-to-C_(2)species,the OH species are inevitably produced accompanying the production of key intermediates CH_(x)(x=1-3),traditionally,the function of surface OH species is generally accepted as the hydrogenating reactive species.This work for the first time proposed and confirmed the assisted catalytic mechanism of surface OH species that performed as the promoter for syngas-to-C_(2)species on Cu-based catalysts.DFT and microkinetic modeling results reveal that the produced OH species accompanying the intermediates CH_(x)production on the MCu(M=Co,Fe,Rh)catalysts can stably exist to form OH/MCu catalysts,on which the presence of surface OH species as the promoter not only presented better activity and selectivity toward CH_(x)(x=1-3)compared to MCu catalysts,but also significantly suppressed CH_(3)OH production,providing enough CH_(x)sources to favor the production of C_(2)hydrocarbons and oxygenates.Correspondingly,the electronic properties analysis revealed the essential relationship between the electronic feature of OH/MCu catalysts and catalytic performance,attributing to the unique electronic micro-environment of the catalysts under the interaction of surface OH species.This new mechanism is called as OH-assisted catalytic mechanism,which may be applied in the reaction systems related to the generation of OH species.
文摘BACKGROUND: Previous studies about blood oxygenation-level dependent (BOLD) functional MRI (fMRI) have indicated that the poststroke recovery of motor function is accompanied by the selective activation of motor cortexes with high correlation. OBJECTIVE: To evaluate the short-term outcomes after rehabilitative interventions with BOLD fMRI in hemiplegic patients with acute stroke, and analyze the correlation of the excitement of brain function in the passive and active movements of the affected limb with the recovery of motor function. DESIGN : A case observation.SETTING: Department of Neurology, Baotou Central Hospital.PARTICIPANTS: Thirty hemiplegic inpatients with ischemic stroke were selected from the Department of Neurology, Baotou Central Hospital from January to December in 2005, including 16 males and 14 females, aging 44-71 years with an average age of (56±5) years, and the disease course ranged from 12 to 72 hours. Inclusive criteria: In accordance with the diagnostic standard of ischemic stroke revised by the Fourth National Academic Meeting for Cerebrovascular Disease; Confirmed by cranial CT or MRI. They were all informed agreed with the detected items. METHODS : ① The Bobath technique was adopted in the rehabilitative interventions of the 30 patients, 30 minutes for each time, twice a day for three weeks continuously. ② The hand motor recovery of the stroke patients was graded by the Brunnstrom stages ( Ⅰ -Ⅵ), and be able to grasp various objects and extend for the whole range was taken as grade Ⅵ. ③ The patients were examined with fMRI BOLD before rehabilitation and 3 weeks after rehabilitation. All the patients were trained with finger movements, the distracting thoughts should be eliminated as much as possible especially during the movement phase, the patients should highly concentrate on the hand movements. The range for the finger movements should be as large as possible with moderate frequency. The hand movements should be 10 s with an interval of 30 s. Te AVANTO 1.5T MRI machine (Siemens Company, Germany) was used for scanning, the 30 s before fMRI BOLD scanning was the adaptation phase for the patients, and the finger movements were alternated for 6-10 times till the end of the scanning. MAIN OUTCOME MEASURES : Differences after rehabilitation evaluated by the activations of different sensorimotor cortex in the hemiplegic patients with acute stroke. RESULTS: ① In passive and active movements of the affected hand, 5 cases of Brunnstrom grade Ⅰ or Ⅱ were manifested by the activation of unilateral sensorimotor cortex (SMC) of the hemiplegic side, and they were Brunnstrom grade Ⅱ after 3-week rehabilitation, and 1 case with activations of bilateral SMC recovered to Brunnstrom grade Ⅲ. ② Among the patients of Brunnstrom grade Ⅲ or Ⅳ, 5 cases were unilaterally activated, and had no changes after 3-week rehabilitation; Whereas of the 9 cases of bilateral activations, 3 recovered to grade Ⅵ and 6 recovered to grade Ⅴ after 3-week rehabilitation. ③ In the passive and active movements of the affected hand, all the cases of Brunnstrom grades Ⅴ and Ⅵ were manifested by the activations of bilateral SMC. After 3-week rehabilitation, 2 of the 4 cases of grade Ⅴ recovered to grade Ⅵ, and the other 2 recovered to normal; Whereas 5 of the 6 cases of grade Ⅵ recovered to normal, and the other 1 was still grade Ⅵ. CONCLUSION : BOLD fMRI showed that the outcomes of short-term rehabilitation in the patients with bilateral activations were obvious, whereas the outcomes were bad in the patients whose ipsilateral cortexes were activated. The activated signal in ipsilateral or bilateral SMC and the activation of supplementary motor area in active movements were greater than those in the passive ones.
基金supported by National Natural Science Foundation of China(No.11975175).
文摘The properties of surface magnetoplasmon polaritons(SMPPs)in a symmetric structure,composed of two semi-infinite regions of high-density two-dimensional electron gas(2DEG)separated by a thin film in Voigt configuration,are investigated.The normal and absorption dispersion relations for the transverse magnetic polarization are derived by correlating Maxwell’s equation and the boundary conditions.It is demonstrated that the features of SMPPs are greatly influenced by the external magnetic field,collision frequency of 2DEG,the dielectric constant,and the thickness of the thin film,suggesting that the locations and propagation lengths of SMPPs can be governed accordingly.It is shown that the symmetry of the physical geometry preserves the symmetry of the dispersion relations of SMPPs.Furthermore,it is discovered that as the external magnetic field increases,the penetration depth of SMPPs decreases,while their energy loss reduces,implying that plasmons can propagate for longer distances.Additionally,it is observed that SMPPs in the symmetric configuration have a longer lifetime than those in the asymmetric configuration.
基金supported by National Natural Science Foundation of China (Nos. 11975175 and 11575135)the Fundamental Research Funds for the Central Universities (WUT: 2020IB021)。
文摘The properties of surface plasmon polaritons(SPPs) excited in the plasma-dielectric-magnetic plasma structure are investigated theoretically. Both the normal and the absorbing dispersion relations of SPPs are derived and presented for transverse-magnetic polarization. The influences of the external magnetic field, collision frequency of plasma, background material dielectric constant,and thickness on the characteristics of SPPs are explored and discussed. Results show that these factors greatly alter the properties of SPPs. The results imply that the locations and propagation length of SPPs can be tuned. In addition, the results also show that a one-way dispersion relation of SPPs can be realized in the low-frequency regions when the external magnetic field is introduced.
基金financially supported by the National Natural Science Foundation of China(No.21776193 and 21736007)U.S.NSF-sponsored NCAR-Wyoming Supercomputing Center(NWSC)。
文摘C_(2)H_(2)semi-hydrogenation has been widely applied in industry to eliminate trace C_(2)H_(2)from C_(2)H_(4)feed.C_(2)H_(2)semi-hydrogenation to C_(2)H_(4)on a series of the newly designed catalysts,graphdiyne(GDY)as a new carbon allotrope supported different sizes of Pd_(x)M_(y)clusters(Pd_(x)M_(y)/GDY,M=Cu,Ag,Au,Ni;x+y=1-3),were studied using DFT calculations.The results found that C_(2)H_(2)semi-hydrogenation to C_(2)H_(4)on Pd_(x)M_(y)/GDY catalysts exhibits that both the activity and selectivity greatly depend on the composition and size of Pd_(x)M_(y)/GDY catalysts.Surprisingly,our results for the first time discovered the Pd_(1)/GDY catalyst with GDY supported the single atom Pd that presents the best selectivity and activity toward C_(2)H_(4)formation compared to the previously reported catalysts so far in C_(2)H_(2)semi-hydrogenation.This study would provide a theoretical clue for designing and screening out the potential catalysts with GDY supported small sizes of Pd_(x)M_(y)and other metal clusters in C_(2)H_(2)hydrogenation.
文摘In order to make use of ocean clay reasonably and excavate its potential applications the properties of ocean clay in Chinese investigating area of the East Pacific have been tested with the chemical analysis, XRFS, ICP/MAS, granulometry and SSA, etc. The results show that the clay sediments of this area are rich in clay minerals, fine granularity, bigger SSA, bigger water absorbability and lower ion changing ability etc. To improve the adaptability of ocean clay and macromolecule materials, using the dry milling method with silane, aluminate, stearic acid coupling agents etc the properties of ocean clay are improved. The effect has been evaluated by testing the water absorbing of the modified ocean clay and their dispersing in paraffin liquid. The result is that KH550 is better than any other active reagents, and the best activation technics is that 1.5% (volume) of KH550 quantity, 20min of milling time. The DTA, XRD, SEM and IR analyses and SSA testing show that the organic activation can not change the mineral structure but can densify the structure of clay, and activation mechanism is chemical covered mainly and chemical combined secondly.