Tuning strategies and structure effects of electrocatalysts for carbon dioxide reduction reaction

Carbon dioxide emissions have increased due to the consumption of fossil fuels,making the neutralization and utilization of CO_(2) a pressing issue.As a clean and efficient energy conversion process,electrocatalytic reduction can reduce carbon dioxide into a series of alcohols and acidic organic molecules,which can effectively realize the utilization and transformation of carbon dioxide.This review focuses on the tuning strategies and structure effects of catalysts for the electrocatalytic CO_(2) reduction reaction(CO_(2)RR).The tuning strategies for the active sites of catalysts have been reviewed from intrinsic and external perspectives.The structure effects for the CO_(2)RR catalysts have also been discussed,such as tandem catalysis,synergistic effects and confinement catalysis.We expect that this review about tuning strategies and structure effects can provide guidance for designing highly efficient CO_(2)RR electrocatalysts.

Structure Dependence of Excitonic Effects in Chiral Graphene Nanoribbons

We explore the excitonic effects in chiral graphene nanoribbons (cGNRs), whose edges are composed alternatively of armchair-edged and zigzag-edged segments. For cGNRs dominated by armchair edges, their energy gaps and exciton energies decrease with increasing chirality angles, and they, as functions of widths, oscillate with the period of three, while the exciton binding energies do not have such distinct oscillation. On the other hand, for cGNRs dominated by zigzag edges, all the energy gaps, exciton energies, and exciton binding energies show oscillation properties with their widths, due to the interactions between the edge states localized at the opposite zigzag edges. In addition, the triplet excitons are energy degenerate when the electrons are spin-unpolarized, while the degeneracy split when the electrons are spin-polarized. All the studied cGNRs show strong excitonic effects with the exciton binding energies of hundreds of meV.

Drivers for Inter-city Innovation Networks Across Chinese Cities:Modelling Physical Versus Intangible Effects

Cross-region innovation is widely recognized as an important source of the long-term regional innovation capacity.In the recent past,a growing number of studies has investigated the network structure and mechanisms of cross-region innovation collaboration in various contexts.However,existing research mainly focuses on physical effects,such as geographical distance and high-speed railway connections.These studies ignore the intangible drivers in a changing environment,the more digitalized economy and the increasingly solidified innovation network structure.Thus,the focus of this study is on estimating determinants of innovation networks,especially on intangible drivers,which have been largely neglected so far.Using city-level data of Chinese patents(excluding Hong Kong,Macao,and Taiwan Province of China),we trace innovation networks across Chinese cities over a long period of time.By integrating a measure on Information and Communications Technology(ICT)development gap and network structural effects into the general proximity framework,this paper explores the changing mechanisms of Chinese innovation networks from a new perspective.The results show that the structure of cross-region innovation networks has changed in China.As mechanisms behind this development,the results confirm the increasingly important role of intangible drivers in Chinese inter-city innovation collaboration when controlling for effects of physical proximity,such as geographical distance.Since digitalization and coordinated development are the mainstream trends in China and other developing countries,these countries'inter-city innovation collaboration patterns will witness dramatic changes under the influence of intangible drivers.

Damage Effects of Overload Axes on Pavement Structures

This paper established the axle load distribution model of overload axes by practical axle-meter investigations. To study the effects of overload axes on pavement distress, deflection and deflection basin tests with axle load from 60kN to 190kN were conducted on different pavement structures. The relationship between axle load and its deflection as well as its deflection basin curvature was obtained by statistical analyses. A methodology for deriving the equivalent conversion factors of overload axes to equivalent standard axle loads (ESAL) of 100kN is developed, obtaining the relationship between the equivalent conversion factors and the axle loads. Comparing the calculated defiections with the measured deflections, that elastic layered system theory is suitable for analyzing overload vehicles was verified. Consequently, the stresses and strains caused by overload axes were calculated by elastic layered system theory. The results showed that overload axes led to greater stresses and strains causing premature pavement fatigue distress. To guarantee the expected performance in overload axes pavement, the structure thickness needed increasing was obtained. The results are of referential values in the control of semi-rigid pavement overloadings.

THE EFFECTS OF VELOCITY RATIO ON THE LARGE SCALE COHERENT STRUCTURES IN FREE SHEAR LAYERS

The velocity ratio of a free shear layer has an important influence on the spatial development of the large scale coherent structures in the layer. In this study, numerical simulations are performed to get an insight into this problem. The obtained numerical results agree quite well with those of a linear inviscid stability theory and the available experimental data.

Hydrodeoxygenation of Phenolic Model Compounds over MoS2 Catalysts with Different Structures

Several MoS2 catalysts of different structure, prepared by in situ decomposition of ammonium heptamolybdate （AHM） and molybdenum naphthenate （MoNaph）, and by MoS2 exfoliation （TDM）, were characterized by BET, X-ray diffraction （XRD）, Energy Dispersive X-ray （EDX） and transmission electron microscopy （TEM）. The analysis showed that MoS2 structure was dependant upon the preparation procedure. The activity of the catalysts was determined by measuring the hydrodeoxygenation （HDO） of phenol, 4-methylphenol and 4-methoxyphenol using a batch autoclave reactor operated at 2.8 MPa of hydrogen and temperatures ranging from 320-370℃. By comparing the conversion, the reactivity order of the catalysts was： AHM〉TDM-D〉MoNaph〉thermal〉MoS2 powder〉 TDM-W. Also, the effect of reaction temperature on the HDO conversion was explained in terms of equilibrium of reversible reaction kinetics. The main products of the HDO for phenolic compounds were identified by gas chromatography/mass spectrometry （GC/MS）. The results showed that the product distribution and the HDO selectivity were correlated with the reaction temperature. Two parallel reaction routes, direct hydrogenolysis and combined hydrogenation-hydrogenolysis, were confirmed by the analysis of the product distribution. High temperature favored hydrogenolysis over hydrogenation for HDO of phenol and 4-methoxyphenol, whereas for 4-methylphenol the reverse was true.

Particle Size and Crystal Phase Effects in Fischer-Tropsch Catalysts

Fischer-Tropsch synthesis （FTS） is an increasingly important approach for producing liquid fuels and chemicals via syngas-that is, synthesis gas, a mixture of carbon monoxide and hydrogen-generated from coal, natural gas, or biomass. In FTS, dispersed transition metal nanoparticles are used to catalyze the reactions underlying the formation of carbon-carbon bonds. Catalytic activity and selectivity are strongly correlated with the electronic and geometric structure of the nanoparticles, which depend on the particle size, morphology, and crystallographic phase of the nanoparticles. In this article, we review recent works dealing with the aspects of bulk and surface sensitivity of the FTS reaction. Understanding the different catalytic behavior in more detail as a function of these parameters may guide the design of more active, selective, and stable FTS catalysts.

Study on the effect of ground motion direction on the response of engineering structure

Due to the randomness of earthquake wave magnitude and direction, and the uncertain direction of strong axis and weak axis in the construction of engineering structures, the effect of the direction of ground motion on a structure are studied herein. Ground motion records usually contain three vertical ground motion data, which are obtained by sensors arranged in accordance with the EW （East -West） direction, NS （South- North） direction and perpendicular to the surface （z） direction, referring to the construction standard of seismic stations. The seismic records in the EW and NS directions are converted to Cartesian coordinates in accordance with the rotation of θ = 0°-180°, and consequently, a countless group of new ground motion time histories are obtained. Then, the characteristics of the ground motion time history and response spectrum of each group were studied, resulting in the following observations： （1） the peak and phase of ground motion are changed with the rotation of direction θ, so that the direction θ of the maximum peak ground motion can be determined; （2） response spectrum values of each group of ground motions change along with the direction θ, and their peak, predominant period and declining curve are also different as the changes occur; then, the angle θ in the direction of the maximum peak value or the widest predominant period can be determined; and （3） the seismic response of structures with different directions of ground motion inputs has been analyzed under the same earthquake record, and the results show the difference. For some ground motion records, such as the Taft seismic wave, these differences are significant. Next, the Lushan middle school gymnasium structure was analyzed and the calculation was checked using the proposed method, where the internal force of the upper space truss varied from 25% to 28%. The research results presented herein can be used for reference in choosing the ground motion when checking the actual damage to structures following earthquakes and explaining the seismic damage. Meanwhile, it also provides a reference value for research into the most severe ground motion.

The Structure and Size-effect of Calcium Modified Lead Titanate Nanocrystal,Pb_(0.85)Ca_(0.15)TiO_3

Calcium modified lead titanate nanocrystal material Pb0.85Ca0.15TiO3 was synthesized by means of a solgel method.The changes of crystal structure and grainsize of the samples were investigated under different conditions of heat treatment.the results show that the tetragonal symmetry is reduced and the ferroelectricparaelectric phase transformation temperature is decreased with the reduce of the grainsize of the sample.the critical grainsize for the ferroelectricparaelectric phase transformation at room temperature was calculated.The change regularities of the lattice constant and tetragonality with the grainsize are discussed.

Large-scale gas accumulation mechanisms and reservoir-forming geological effects in sandstones of Central and Western China

Large-scale gas accumulation areas in large oil-gas basins in central and Western China have multiple special accumulation mechanisms and different accumulation effects.Based on the geological theory and method of natural gas reservoir formation,this study examined the regional geological and structural background,formation burial evolution,basic characteristics of gas reservoirs,and fluid geology and geochemistry of typical petroliferous basins.The results show that the geological processes such as structural pumping,mudstone water absorption,water-soluble gas degasification and fluid sequestration caused by uplift and denudation since Himalayan stage all can form large-scale gas accumulation and different geological effects of gas accumulation.For example,the large-scale structural pumping effect and fluid sequestration effect are conducive to the occurrence of regional ultra-high pressure fluid and the formation of large-scale ultra-high pressure gas field;mudstone water absorption effect in the formation with low thickness ratio of sandstone to formation is conducive to the development of regional low-pressure and water free gas reservoir;the water-soluble gas degasification effect in large-scale thick sandstone can not only form large-scale natural gas accumulation;moreover,the degasification of water-soluble gas produced by the lateral migration of formation water will produce regional and regular isotopic fractionation effect of natural gas,that is,the farther the migration distance of water-soluble gas is,the heavier the carbon isotopic composition of methane formed by the accumulation.

A transparent electromagnetic-shielding film based on one-dimensional metal–dielectric periodic structures

In this study, we designed and fabricated optical materials consisting of alternating ITO and Ag layers. This approach is considered to be a promising way to obtain a light-weight, ultrathin and transparent shielding medium, which not only transmits visible light but also inhibits the transmission of microwaves, despite the fact that the total thickness of the Ag film is much larger than the skin depth in the visible range and less than that in the microwave region. Theoretical results suggest that a high dielectric/metal thickness ratio can enhance the broadband and improve the transmittance in the optical range. Accordingly, the central wavelength was found to be red-shifted with increasing dielectric/metal thickness ratio. A physical mechanism behind the controlling transmission of visible light is also proposed. Meanwhile, the electromagnetic shielding effectiveness of the prepared structures was found to exceed 40 dB in the range from 0.1 GHz to 18 GHz, even reaching up to 70 dB at 0.1 GHz, which is far higher than that of a single ITO film of the same thickness.

Multiple broadband magnetoelectric response in Terfenol-D/PZT structure

In this paper, a novel magnetoelectric（ME） composite structure is proposed, and the ME response in the structure is measured at the bias magnetic field up to 2000 Oe（1 Oe = 79.5775 A·m^（-1）） and the excitation frequency of alternating magnetic field ranging from 1 kHz to 200 kHz. The ME voltage of each PZT layer is detected. According to the measurement results, the phase differences are observed among three channels and the multi-peak phenomenon appears in each channel. Meanwhile, the results show that the ME structure can stay a relatively high ME response within a wide bandwidth.Besides, the hysteretic loops of three PZT layers are observed. When the frequency of alternating current（AC） magnetic field changes, the maximum value of ME coefficient appears in different layers due to the multiple vibration modes of the structure. Moreover, a finite element analysis is performed to evaluate the resonant frequency of the structure, and the theoretical calculating results accord well with the experimental results. The experiment results suggest that the proposed structure may be a good candidate for designing broadband magnetic field sensors.

Pore structure characteristics of the relative water-resisting layer on the top of the Ordovician in Longgu Coal Mine

In order to study the permeability and water-resisting ability of the strata on the top of the Ordovician in Longgu Coal Mine, this paper tested the permeability and porosity of the strata, investigated the fracture and pore structure features of the strata, and identified the main channels which govern the permeability and water-resisting ability of the strata. The permeability of the upper, central and lower strata shows as 2.0504 × 10^-3-2.782762× 10^-3, 4.1092 × 10^-3 -7.3387 × 10^-3 and 2.0891 ×10^-3-3.2705 × 10-3 μm^2, respectively, and porosity of that is 0.6786-0.9197%, 0.3109-0.3951% and 0.9829-1.8655%, respectively. The results indicate that： （I） the main channels of the relative water-resisting layer are the pore throats with a diameter more than 6 μm; （2） the major proportion of pore throats in the vertical flow channel and the permeability first increases and then sharply decreases; （3） the fractures occurring from the top to 20 m in depth of the strata were filled and there occurred almost no fracture under the depth of 40 m; and （4） the ratio of turning point of the main flow channel in the strata on top of Ordovician can be used to confirm the thickness of filled water-resisting lavers.

The magnetic properties and magnetocaloric effects in binary R-T(R = Pr,Gd,Tb,Dy,Ho,Er,Tm;T = Ga,Ni,Co,Cu)intermetallic compounds

In this paper, we review the magnetic properties and magnetocaloric effects（MCE） of binary R–T（R = Pr, Gd, Tb,Dy, Ho, Er, Tm; T = Ga, Ni, Co, Cu） intermetallic compounds（including RGa series, RNi series, R_（12）Co_7 series, R_3 Co series and RCu_2series）, which have been investigated in detail in the past several years. The R–T compounds are studied by means of magnetic measurements, heat capacity measurements, magnetoresistance measurements and neutron powder diffraction measurements. The R–T compounds show complex magnetic transitions and interesting magnetic properties.The types of magnetic transitions are investigated and confirmed in detail by multiple approaches. Especially, most of the R–T compounds undergo more than one magnetic transition, which has significant impact on the magnetocaloric effect of R–T compounds. The MCE of R–T compounds are calculated by different ways and the special shapes of MCE peaks for different compounds are investigated and discussed in detail. To improve the MCE performance of R–T compounds,atoms with large spin（S） and atoms with large total angular momentum（J） are introduced to substitute the related rare earth atoms. With the atom substitution, the maximum of magnetic entropy change（？SM）, refrigerant temperature width（Twidth）or refrigerant capacity（RC） is enlarged for some R–T compounds. In the low temperature range, binary R–T（R = Pr, Gd,Tb, Dy, Ho, Er, Tm; T = Ga, Ni, Co, Cu） intermetallic compounds（including RGa series, RNi series,R_（12）Co_7 series, R_3 Co series and RCu_2series） show excellent performance of MCE, indicating the potential application for gas liquefaction in the future.

Electronic Structure Effect on Model Cluster for L1_2 Structure of Al_3Ti Intermetallic Compound with an Addition of Alloying Elements Fe, Ni and Cu

By use of self-consistent field Xα scattered-wave (SCF-Xα-SW) method, the electronic structure was calculated for four models of Ti4Al14X (X=Al, Fe, Ni and Cu) clusters. The Ti4Al14X cluster was developed based on L12 Al3Ti-base intermetallic compound. The results are presented using the density of states (DOS) and one-electron properties, such as relative binding tendency between the atom and the model cluster, and hybrid bonding tendency between the alloying element and the host atoms. By comparing the four models of Ti4Al14X cluster, the effect of the Fe, Ni or Cu atom on the physical properties of Al3Ti-based L12 intermetallic compounds is analyzed. The results indicate that the addition of the Fe, Ni or Cu atom intensifies the relative binding tendency between Ti atom and Ti4Al14X cluster. It was found that the Fermi level (EF) lies in a maximum in the DOS for Ti4Al14Al cluster; on the contrary, the EF comes near a minimum tn the DOS for Ti4Al14X (X=Fe, Ni and Cu) cluster. Thus the L12 crystal structure for binary Al3Ti alloy is unstable, and the addition of the Fe, Ni or Cu atom to Al3Ti is benefical to stabilize L12 crystal structure. The calculation also shows that the Fe, Ni or Cu atom strengthens the hybrid bonding tendency between the central atom and the host atoms for Ti4Al14X cluster and thereby may lead to the constriction of the lattice of Al3Ti-base intermetallic compounds.

CRYSTAL STRUCTURE AND SHG EFFECT OF COMPLEX [Zn(POM)_2Br_2]

[Zn(POM)_2Br_2](POM is 3-Methyl-4-Nitropyridine-1-Oxide),C_(12)H_(12)Br_2N_4O_6Zn, Mr=533.44,triclinic,P1,a=11.450(3),b=13.027(2),c=6.605(1),α=101.25(1),β=96.96(2), γ=108.06(2)°,V=901.2(4)~3,Z=2,D_c=1.97g·cm^(-3),(MoK_α)=0.71069,F(000)=520, μ=58.21cm^(-1),final R=0.040 for 2192 observed reflections,T=296K.The compound is a mononuclear complex,containing a tetrahedrally coordinated zinc atom.

Structural Effects of Overpressure Fluid Activities in Yinggehai Basin

The characteristics and distribution of faults in Yinggehai basin discussed in this paper reveal the structural effects of the overpressure fluid expulsion. The rapid subsidence and mud rich intervals of the marine rocks dominate the formation of the overpressure systems and the enormous volumes of the overpressure fluids in the basin. Triggered by some faults, the overpressure fluids were expulsed rapidly from the overpressure compartments to form a series of diapirs in the basin, resulting in the dense fractures or faults and folds in the limbs of diapirs. These fractures and faults provided the migration pathway for the vertical flow of hydrocarbons, so that the gas fields arising from this process might migrate upwards to the sandstone reservoir. Therefore, the hydrocarbon accumulations are usually located in the upper parts of diapiric structures.

Copper Ion Beam Irradiation-Induced Effects on Structural,Morphological and Optical Properties of Tin Dioxide Nanowires

The 0.8 Me V copper （ Cu） ion beam irradiation-induced effects on structural, morphological and optical properties of tin dioxide nanowires （Sn02 NWs） are investigated. The samples are irradiated at three different doses 5 × 10^12 ions/cm2, 1 ×10^13 ions/cm2 and 5 × 10^13 ions/em2 at room temperature. The XRD analysis shows that the tetragonal phase of Sn02 NWs remains stable after Cu ion irradiation, but with increasing irradiation dose level the crystal size increases due to ion beam induced coalescence of NWs. The FTIR spectra of pristine Sn02 NWs exhibit the chemical composition of SnO2 while the Cn-O bond is also observed in the FTIR spectra after Cu ion beam irradiation. The presence of Cu impurity in SnO2 is further confirmed by calculating the stopping range of Cu ions by using TRM/SRIM code. Optical properties of SnO2 NWs are studied before and after Cu ion irradiation. Band gap analysis reveMs that the band gap of irradiated samples is found to decrease compared with the pristine sample. Therefore, ion beam irradiation is a promising technology for nanoengineering and band gap tailoring.

Capital and Labor Allocation Structure and China's Economic Growth

Using sector-specific growth accounting method, this paper investigates the growth effect of inter-industry allocation of capital and labor in China. This paper has found that existing investment data are classified according to investment entities rather than user entities and directly using such data for the measurement of capital inventory of various sectors will seriously overestimate the capital inventory of tertiary industry and lead to distorted conclusions of "structural burden" of capital allocation and its serious violation of the principle of efficiency. By excluding real estate sector, this paper has found that after the 1990 s, inter-industry capital allocation had been generally consistent with the principle of efficiency and the effect of capital allocation structure is not significant. Our estimates also found that the growth effect arising from the inter-industry allocation of labor since reform and opening up averages 0.63 percentage points, which is significantly positively correlated with residual economic growth rate and residual TFP and demonstrates a decade-long "reform cycle." According to the comparative study on the effect of labor allocation structure of 37 other countries and regions, by 2017, the effect of China's labor allocation structure will continue to remain in a relatively high stage; between 2017 and 2023, structural effect will significantly diminish and deceleration pressure will rise swiftly; after 2030, the effect of labor allocation structure will linger in a low level stage, when economy is likely to enter into a stage of low growth rate. These findings will help us better assess future economic growth tendencies.

EFFECT OF STRUCTURE OF FUNCTIONAL POLYMER ACTIVE MATERIALS ON PROPERTIES OF GADOLINIUM ION SELECTIVE ELECTRODE

In this paper,the functional polymeric active materials were prepared by the grafting copolymerization and their structure and properties were studied.The results show that the structure and properties of these ac- tive materials have the relative large effects on the properties of gadolinium ion selective electrodes.