Double-resonance Raman(DRR)scattering in two-di-mensional(2D)materials describes the intravalley or intervalley scattering of an electron or a hole excited by incident photons.Although the presence of defects can prov...Double-resonance Raman(DRR)scattering in two-di-mensional(2D)materials describes the intravalley or intervalley scattering of an electron or a hole excited by incident photons.Although the presence of defects can provide additional momentum and influence the scat-tering process involving one or two phonons,only the idealized defects without any structural details are considered in tra-ditional DRR theory.Here,the second-order DRR spectra of WSe_(2) monolayer with different types of defects are calculated involving the combinations of acoustic and optical phonons in the vicinity of K(K')and M points of the Brillouin zone.The electronic band structures are modified due to the presence of defects,and the band unfolding method is adopted to show the bending of valence and conduction bands for the defective WSe_(2) monolayers.The associ-ated phononic band structures also exhibit different changes in phonon dispersion curves,re-sulting in different DRR spectra corresponding to the different types of defects in the WSe_(2) monolayers.For example,the existence of W vacancy in the WSe_(2) monolayer would result in downshifts in vibrational frequencies and asymmetrical broadenings in linewidths for most combination modes due to the dramatic changes in contour shape of electronic valleys at K and K'.Moreover,the scattering from K to Q is found to be forbidden for the two Se vacan-cies because of the elevation of conduction band at the Q point.Our work highlights the role of defect structures in the intervalley scattering and may provide better understanding in the underlying physics of DRR process in 2D materials.展开更多
The title complex [Zn(-O2CCH=CHCO2)(C3H4N2)(H2O)]n was prepared by the reaction of zinc carbonate with maleic acid and imidazole in an aqueous-alcohol solution at 333 K, and its crystal structure has been solved by si...The title complex [Zn(-O2CCH=CHCO2)(C3H4N2)(H2O)]n was prepared by the reaction of zinc carbonate with maleic acid and imidazole in an aqueous-alcohol solution at 333 K, and its crystal structure has been solved by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group Pc with a = 5.3858(7), b = 22.685(3), c = 7.6782(1) ? = 92.261(2)o, V = 937.4(2) 3, Z = 1, C14H16N4O10Zn2, Mr = 531.05, Dc = 1.882 g/cm3, = 2.623 mm1, F(000) = 532, the final R = 0.0372 and wR = 0.0930 for 1926 observed reflections with I>2s(I). The central zinc atom is five-coordinated in a distorted square pyramidal environment to three oxygen atoms of two different maleate ligands, a nitrogen atom of the imi- dazole ligand and an oxygen atom of water. In the complex two carboxylate groups of the maleate ligands have two coordination modes. One acts as a bidentate chelate ligand and the other a monoatomic monodentate ligand to bridge two zinc centers. As a result, 1-D infinite polymeric chains are formed, which are linked together by pairs of OH…O hydrogen bonds between the coordination water OH groups and carboxylate oxygen atoms to construct a 2-D layered polymer, and the layer structure is stabilized by p-p stacking of the imidozel ligands.展开更多
Synthetic two-dimensional（2 D） polymers have totally different topology structures compared with traditional linear or branched polymers. The peculiar 2 D structures bring superior properties. Although, from linear ...Synthetic two-dimensional（2 D） polymers have totally different topology structures compared with traditional linear or branched polymers. The peculiar 2 D structures bring superior properties. Although, from linear to 2 D polymers, the study of these new materials is still in its infancy, they already show potential applications especially in optoelectronics, membranes, energy storage and catalysis, etc. In this review, we summarize the recent progress of the 2 D materials from three respects：（1） Chemistry—different types of polymerization reactions or supramolecular assembly to construct the 2 D networks were described;（2） Preparation methods—surface science, crystal engineering approaches and solution synthesis were introduced;（3） Functionalization and some early applications.展开更多
Femtosecond laser pulses with GHz burst mode that consist of a series of trains of ultrashort laser pulses with a pulse interval of several hundred picoseconds offer distinct features in material processing that canno...Femtosecond laser pulses with GHz burst mode that consist of a series of trains of ultrashort laser pulses with a pulse interval of several hundred picoseconds offer distinct features in material processing that cannot be obtained by the conventional irradiation scheme of femtosecond laser pulses(single-pulse mode).However,most studies using the GHz burst mode femtosecond laser pulses focus on ablation of materials to achieve high-efficiency and high-quality material removal.In this study,we explore the ability of the GHz burst mode femtosecond laser processing to form laser-induced periodic surface structures(LIPSS)on silicon.It is well known that the direction of LIPSS formed by the single-pulse mode with linearly polarized laser pulses is typically perpendicular to the laser polarization direction.In contrast,we find that the GHz burst mode femtosecond laser(wavelength:1030 nm,intra-pulse duration:220 fs,intra-pulse interval time(intra-pulse repetition rate):205 ps(4.88 GHz),burst pulse repetition rate:200 kHz)creates unique two-dimensional(2D)LIPSS.We regard the formation mechanism of 2D LIPSS as the synergetic contribution of the electromagnetic mechanism and the hydrodynamic mechanism.Specifically,generation of hot spots with highly enhanced electric fields by the localized surface plasmon resonance of subsequent pulses in the bursts within the nanogrooves of one-dimensional LIPSS formed by the preceding pulses creates 2D LIPSS.Additionally,hydrodynamic instability including convection flow determines the final structure of 2D LIPSS.展开更多
We review experimental and theoretical results on thermal transport in semiconductor nanostructures（multilayer thin films, core/shell and segmented nanowires）, single-and few-layer graphene, hexagonal boron nitride,...We review experimental and theoretical results on thermal transport in semiconductor nanostructures（multilayer thin films, core/shell and segmented nanowires）, single-and few-layer graphene, hexagonal boron nitride, molybdenum disulfide, and black phosphorus. Different possibilities of phonon engineering for optimization of electrical and heat conductions are discussed. The role of the phonon energy spectra modification on the thermal conductivity in semiconductor nanostructures is revealed. The dependence of thermal conductivity in graphene and related two-dimensional（2 D） materials on temperature, flake size, defect concentration, edge roughness, and strain is analyzed.展开更多
The interface crack problems in the two-dimensional(2D)decagonal quasicrystal(QC)coating are theoretically and numerically investigated with a displacement discontinuity method.The 2D general solution is obtained base...The interface crack problems in the two-dimensional(2D)decagonal quasicrystal(QC)coating are theoretically and numerically investigated with a displacement discontinuity method.The 2D general solution is obtained based on the potential theory.An analogy method is proposed based on the relationship between the general solutions for 2D decagonal and one-dimensional(1D)hexagonal QCs.According to the analogy method,the fundamental solutions of concentrated point phonon displacement discontinuities are obtained on the interface.By using the superposition principle,the hypersingular boundary integral-differential equations in terms of displacement discontinuities are determined for a line interface crack.Further,Green’s functions are found for uniform displacement discontinuities on a line element.The oscillatory singularity near a crack tip is eliminated by adopting the Gaussian distribution to approximate the delta function.The stress intensity factors(SIFs)with ordinary singularity and the energy release rate(ERR)are derived.Finally,a boundary element method is put forward to investigate the effects of different factors on the fracture.展开更多
Hydrogen(H2)is considered to be a promising substitute for fossil fuels.Two-dimensional(2D)nanomaterials have exhibited an efficient electrocatalytic capacity to catalyze hydrogen evolution reaction(HER).Particularly,...Hydrogen(H2)is considered to be a promising substitute for fossil fuels.Two-dimensional(2D)nanomaterials have exhibited an efficient electrocatalytic capacity to catalyze hydrogen evolution reaction(HER).Particularly,phase engineering of 2D nanomaterials is opening a novel research direction to endow 2D nanostructures with fascinating properties for deep applications in catalyzing HER.In this review,we briefly summarize the research progress and present the current challenges on phase engineering of 2D nanomaterials for their applications in electrocatalytic HER.Our summary will be of significance to provide fundamental understanding for designing novel 2D nanomaterials with unconventional phases to electrochemically catalyze HER.展开更多
To effectively address energy challenges,it is crucial to explore efficient and stable bifunctional nonprecious metal catalysts.In this study,a Mo-doped nickeliron layered double hydroxide with flower-cluster architec...To effectively address energy challenges,it is crucial to explore efficient and stable bifunctional nonprecious metal catalysts.In this study,a Mo-doped nickeliron layered double hydroxide with flower-cluster architecture was successfully prepared by a one-step hydrothermal method,which demonstrated a good water splitting performance.After an appropriate amount of Mo doping,some lattice distortions in the material provided reactive sites for the adsorption and conversion of intermediates,thus optimising the charge distribution of the material.Moreover,the multidimensional void structures formed after doping had a larger specific surface area and accelerated the penetration of the electrolyte,which significantly improved the activity of the catalyst in alkaline media.At 10 mA·cm^(-2),the hydrogen and oxygen evolution overpotentials of Mo-doped nickel-iron double hydroxides(Mo-NiFe LDH/NF-0.2)were 167 and 220 mV,respectively,with an excellent durability up to 24 h.When the Mo-NiFe LDH/NF-0,2 catalyst was used as the cathode and anode of an electrolytic cell,the catalyst achieved a current density of 10 mA·cm^(-2)at an applied voltage of 1.643 V.This study provides a novel approach for designing excellent bifunctional electrocatalysts containing nonprecious metals.展开更多
According to first principle simulations, we theoretically predict a type of stable single-layer graphene oxide（C_2O）.Using density functional theory（DFT）, C_2O is found to be a direct gap semiconductor. In additi...According to first principle simulations, we theoretically predict a type of stable single-layer graphene oxide（C_2O）.Using density functional theory（DFT）, C_2O is found to be a direct gap semiconductor. In addition, we obtain the absorption spectra of the periodic structure of C_2O, which show optical anisotropy. To study the optical properties of C_2O nanostructures, time-dependent density functional theory（TDDFT） is used. The C_2O nanostructure has a strong absorption near 7 eV when the incident light polarizes along the armchair-edge. Besides, we find that the optical properties can be controlled by the edge configuration and the size of the C_2O nanostructure. With the elongation strain increasing, the range of light absorption becomes wider and there is a red shift of absorption spectrum.展开更多
Quasi-two-dimensional(2D)perovskite embodies characteristics of both three-dimensional(3D)and 2D perovskites,achieving the superior external environment stability structure of 2D perovskites alongside the high efficie...Quasi-two-dimensional(2D)perovskite embodies characteristics of both three-dimensional(3D)and 2D perovskites,achieving the superior external environment stability structure of 2D perovskites alongside the high efficiency of 3D perovskites.This effect is realized through critical structural modifications in device fabrication.Typically,perovskites have an octahedral structure,generally ABX3,where an organic ammonium cation(A’)participates in forming the perovskite structure,with A’_(n)(n=1 or 2)sandwiched between A_(n-1)B_(n)X_(3n+1)perovskite layers.Depending on whether A’is a monovalent or divalent cation,2D perovskites are classified into Ruddlesden-Popper perovskite or Dion-Jacobson perovskite,each generating different structures.Although each structure achieves similar effects,they incorporate distinct mechanisms in their formation.And according to these different structures,various properties appear,and additive and optimizing methods to increase the efficiency of 3D perovskites also exist in 2D perovskites.In this review,scientific understanding and engineering perspectives of the quasi-2D perovskite is investigated,and the optimal structure quasi-2D and the device optimization is also discussed to provide the insight in the field.展开更多
Incorporating organic bulky cations in the precursor or post-treatment to achieve two-dimensional/thr ee-dimensional(2D/3D)heterojunction is an effective strategy for enhancing the stability of perovskite materials.Ho...Incorporating organic bulky cations in the precursor or post-treatment to achieve two-dimensional/thr ee-dimensional(2D/3D)heterojunction is an effective strategy for enhancing the stability of perovskite materials.However,the issue of insufficient charge transport in 2D perovskites limits their development,and the fundamental mechanism of out-of-plane carrier transport remains unclear.This study designed and synthesized seven organic phenyl-core cations,differentiated at the 1-and 1,4-positions,and identified the impacts on the corresponding properties of the 2D crystalline perovskite.Shorter cations facilitated a more compact arrangement of adjacent inorganic layers,aligning to favor charge transport along the vertical direction.In addition,introducing high electronegativity led to increased intermolecular interactions,resulting in enhanced structural stability and improved phenyl ring π-orbital overlap and interlayer electron coupling,yielding efficient charge transport.Resilience to thermal stressing of the perovskite was strongly correlated with the carbon chain length of the spacer cations.The increase in cation length and the reduction in the rigidity of the amino-terminal both aided in the dispersion of thermal stress in the inorganic framework.Additional hydrogen bonding also contributed to mitigating structural disorder.展开更多
With the development of unconventional hydrocarbon, how to improve the shale oil and gas recovery become urgent. Therefore hydraulic fracturing becomes the key due to the complicated properties of the reservoirs. The ...With the development of unconventional hydrocarbon, how to improve the shale oil and gas recovery become urgent. Therefore hydraulic fracturing becomes the key due to the complicated properties of the reservoirs. The pore structure not only plays an essential role in the formation of complex fracture networks after fracturing but also in resource accumulation mechanism analyses. The lacustrine organicrich shale samples were selected to carry out petrophysical experiments. Scanning Electron Microscopy(SEM) and X-ray Diffraction were performed to elucidate the geology characteristics. MICP, 2D NMR, CT,and N2adsorption were conducted to classify the pore structure types. The contribution of pore structure to oil accumulation and hydrocarbon enrichment was explained through the N2adsorption test on the original and extracted state and 2D NMR. The results show that micropores with diameter less than20 nm are well-developed. The pore structure was divided into three types. Type Ⅰ is characterized by high porosity, lower surface area, and good pore throat connectivity, with free oil existing in large pores,especially lamellation fractures. The dominant nano-pores are spongy organic pores and resources hosted in large pores have been expelled during high thermal evolution. The content of nano-pores(micropores) increases and the pore volume decreases in Type Ⅱ pore structure. In addition, more absorbed oil was enriched. The pore size distribution of type Ⅱ is similar to that of type Ⅰ. However, the maturity and hydrocarbon accumulation is quite different. The oil reserved in large pores was not expelled attributed to the relatively low thermal evolution compared with type Ⅰ. Structural vitrinite was observed through SEM indicating kerogen of type Ⅲ developed in this kind of reservoir while the type of kerogen in pore structure Ⅰ is type Ⅱ. Type Ⅲ pore structure is characterized by the largest surface area,lowest porosity, and almost isolated pores with rarely free oil. Type Ⅰ makes the most contribution to hydrocarbon accumulation and immigration, which shows the best prospect. Of all of these experiments,N2adsorption exhibits the best in characterizing pores in shales due to its high resolution for the assessment of nano-scale pores. MICP and NMR have a better advantage in characterizing pore space of sandstone reservoirs, even tight sandstone reservoirs. 2D NMR plays an essential role in fluid recognition and saturation calculation. CT scanning provides a 3D visualization of reservoir space and directly shows the relationship between pores and throats and the characteristics of fractures. This study hopes to guide experiment selection in pore structure characterization in different reservoirs. This research provides insight into hydrocarbon accumulation of shales and guidance in the exploration and development of unconventional resources, for example for geothermal and CCUS reservoirs.展开更多
Two-dimensional(2D) nanomaterials have always been regarded as having great development potential in the field of oil-based lubrication due to their designable structures,functional groups,and abundant active sites.Ho...Two-dimensional(2D) nanomaterials have always been regarded as having great development potential in the field of oil-based lubrication due to their designable structures,functional groups,and abundant active sites.However,understanding the structure-performance relationship between the chemical structure of 2D nanomaterials and their lubrication performance from a comprehensive perspective is crucial for guiding their future development.This review provides a timely and comprehensive overview of the applications of 2D nanomaterials in oil-based lubrication.First,the bottlenecks and mechanisms of action of 2D nanomaterials are outlined,including adsorption protective films,charge adsorption effects,tribochemical reaction films,interlayer slip,and synergistic effects.On this basis,the review summarizes recent structural regulation strategies for 2D nanomaterials,including doping engineering,surface modification,structural optimization,and interfacial mixing engineering.Then,the focus was on analyzing the structure-performance relationship between the chemical structure of 2D nanomaterials and their lubrication performance.The effects of thickness,number of layers,sheet diameter,interlayer spacing,Moiré patterns,wettability,functional groups,concentration,as well as interfacial compatibility and dispersion behavior of 2D nanomaterials were systematically investigated in oil-based lubrication,with the intrinsic correlations resolved through computational simulations.Finally,the review offers a preliminary summary of the significant challenges and future directions for 2D nanomaterials in oil-based lubrication.This review aims to provide valuable insights and development strategies for the rational design of high-performance oil-based lubrication materials.展开更多
With a large number of researches being conducted on two?dimen?sional(2D)materials,their unique properties in optics,electrics,mechanics,and magnetics have attracted increasing attention.Accordingly,the idea of combin...With a large number of researches being conducted on two?dimen?sional(2D)materials,their unique properties in optics,electrics,mechanics,and magnetics have attracted increasing attention.Accordingly,the idea of combining distinct functional 2D materials into heterostructures naturally emerged that pro?vides unprecedented platforms for exploring new physics that are not accessible in a single 2D material or 3D heterostructures.Along with the rapid development of controllable,scalable,and programmed synthesis techniques of high?quality 2D heterostructures,various heterostructure devices with extraordinary performance have been designed and fabricated,including tunneling transistors,photodetectors,and spintronic devices.In this review,we present a summary of the latest progresses in fabrications,properties,and applications of di erent types of 2D heterostruc?tures,followed by the discussions on present challenges and perspectives of further investigations.展开更多
Mesostructured Co3O4-CeO2 composite was found to be an effective catalytic material for the complete oxidation of benzene. The Co3O4-CeO2 catalysts with different Co/Ce ratios （mol/mol） were prepared via the nanocas...Mesostructured Co3O4-CeO2 composite was found to be an effective catalytic material for the complete oxidation of benzene. The Co3O4-CeO2 catalysts with different Co/Ce ratios （mol/mol） were prepared via the nanocasting method and the mesostructure was replicated from two-dimensional （2D） hexagonal SBA-15 and three-dimensional （3D） cubic KIT-6 silicas, respectively. All the obtained Co3O4-CeO2 catalysts exhibited the similar symmetry with the parent silicas and well ordered mesostructures. The Co3O4- CeO2 catalysts with 2D mesostructure showed lower catalytic activities than the corresponding 3D materials. The Co3O4-CeO2 catalyst nanocasted from KIT-6 and with the Co/Ce ratio of 16/1 possessed the best catalytic benzene oxidation activity due to larger quantities of surface hydroxyl groups and surface oxygenated species. The mesostructured Co3O4-CeO2 material thus shows great potential as a promising eco-environmental catalyst for benzene effective elimination.展开更多
We prepared a two-dimensional transition metal carbide Ti_2CT_x by treatment of Ti_2 AlC in molten fluoride salt. Two fluorinated salt systems were used to etch Al from Ti_2 AlC powder precursor under the argon atmosp...We prepared a two-dimensional transition metal carbide Ti_2CT_x by treatment of Ti_2 AlC in molten fluoride salt. Two fluorinated salt systems were used to etch Al from Ti_2 AlC powder precursor under the argon atmosphere, and then the resulting MXene was delaminated with TBAOH to produce few-layered nanosheets of Ti_2CT_x. The reaction was undergone at different temperatures to study the effect of temperature.The results show that the optimal reaction temperature is 600 ℃ in LiF-NaF-KF system, and 850 ℃ in NaFKF system. The molten salt treated products are delaminated and quasi-2 D MXene sheets can be obtained. The thickness of the MXene sheets prepared from the binary molten salt system is smaller than that of the ternary molten salt system.展开更多
Structural modification of three dimensional(3D)materials for the application of dielectric loss-based microwave absorbing materials(MAMs)usually relies on intricate synthesis process and can pose challenges in terms ...Structural modification of three dimensional(3D)materials for the application of dielectric loss-based microwave absorbing materials(MAMs)usually relies on intricate synthesis process and can pose challenges in terms of scalability and mass production for practical application.In this work,we reported a successful attempt in modifying the 3D structure of mesoporous lanthanum oxide(La_(2)O_(3))for effective broadband MAMs candidate via simple co-precipitation process.The inclusion of cetyltrimethylammonium bromide(CTAB)and hydrothermal aging treatment result in a significant transformation of La_(2)O_(3)particles from their original polygonal form to a 3D coral-like and nano needle-like structure.The utilization of CTAB and hydrothermal aging results in the increase of surface area and a two-fold increase in pore volume of the resulting La_(2)O_(3).Due to its unique 3D structure,the 3D coral-like and nano needle-like La_(2)O_(3)materials possess a broadband electromagnetic(EM)wave absorption characteristic with the effective absorption bandwidth(EAB)covering the C-band frequency range.Specifically,in the La_(2)O_(3)C-H sample(with CTAB-with hydrothermal),it exhibits strong EM wave absorption with a reflection loss(RL)value of-33.07 dB which equals to 99.95%EM wave absorption at a thickness of only 1.50 mm.The detailed analysis of EM wave absorption properties reveals that the improvement of La_(2)O_(3)materials to attenuate EM wave energy arises from the dielectric loss phenomenon,the enhanced interfacial polarization,multiple reflections mechanism,and conduction loss mechanism induced by the 3D structural formation of the La_(2)O_(3)structure.This work proposes a novel and efficient approach in synthesizing and modifying 3D materials for effective broadband EM wave absorption.展开更多
Fifteen novel 2-（3-oxobenzo[d]isothiazol-2（3H）-yl）ethyl benzoates were synthesi- zed by the condensation of 2-（2-hydroxyethyl）benzo[d]isothiazol-3（2H）-one with substituted benzoic acids in dichloromethane. All...Fifteen novel 2-（3-oxobenzo[d]isothiazol-2（3H）-yl）ethyl benzoates were synthesi- zed by the condensation of 2-（2-hydroxyethyl）benzo[d]isothiazol-3（2H）-one with substituted benzoic acids in dichloromethane. All the compounds were characterized by elemental analysis, IR, ESI-MS and 1H NMR. The crystal structures for 2-（2-hydroxyethyl）benzo[d]isothiazol-3（2H）-one （2） and 2-（3-oxobenzo[d]isothiazol-2（3H）-yl）ethyl 2-methoxybenzoate （30） have been determined by X-ray crystal structure analysis. Compound 2 （C9H9NO2S） crystallizes in the monoclinic system, space group Pn with a = 10.552（3）, b = 7.849（2）, c = 10.765（4） A, β = 103.128（4）°, V= 868.3（5） A3, Mr = 195.24, Dc = 1.493 Mg.m-3, μ = 0.33 mm-1, F（000） = 408, Z = 4, R= 0.0314 and wR= 0.0628. Compound 30 （C17H15NO4S） crystallizes in the triclinic system, space group P1 with a = 8.028（2）, b = 9.300（2）, c = 10.430（3）A, V= 752.1（3）A3, Mr = 329.36, D,= 1.454 Mg.m-3, p = 0.24 mm-1, F（000） = 344, Z = 2, R = 0.0377 and wR = 0.0904. The preliminary biological test indicated that the title compounds show better growth inhibitory activity against the gram-positive bacteria than the gram-negative bacteria.展开更多
Two compounds,3-oxo-N-o-tolylbenzo[d]isothiazole-2（3H）-carboxamide （1） and N-（2-methoxyphenyl）-3-oxobenzo[d]isothiazole-2（3H）-carboxamide （2）,were synthesized from the initial compound benzo[d]isothiazol-3...Two compounds,3-oxo-N-o-tolylbenzo[d]isothiazole-2（3H）-carboxamide （1） and N-（2-methoxyphenyl）-3-oxobenzo[d]isothiazole-2（3H）-carboxamide （2）,were synthesized from the initial compound benzo[d]isothiazol-3（2H）-one （BIT） and characterized by 1 H NMR,IR and elemental analysis,respectively.The single crystals of compounds 1 and 2 were obtained and determined by X-ray diffraction analysis.The preliminary results of biological activity experiment show that some of the title compounds exhibited a favorable antimicrobial activity.展开更多
Layered compounds play pivotal roles as precursors for producing 2D materials through mechanical exfoliation(micro-mechanical cleavage) or chemical approaches. Therefore, searching for layered compounds with sharp ani...Layered compounds play pivotal roles as precursors for producing 2D materials through mechanical exfoliation(micro-mechanical cleavage) or chemical approaches. Therefore, searching for layered compounds with sharp anisotropic chemical bonding and properties becomes emergent. In this work, the stability, electronic structure, elastic properties, and lattice dynamics of YBCwere investigated. Strong anisotropy in elastic properties is revealed, i.e., high Young’s modulus in a-b plane but low Young’s modulus in c direction. The maximum to minimum Young’s modulus ratio is 2.41 and 2.45 for YBCwith P42/mmc and P4/mbm symmetry, respectively. The most likely systems for shear sliding or microdelaminating are(001)[100] and(001)[010]. The anisotropic elastic properties are underpinned by the anisotropic chemical bonding, i.e., strong bonding within the BCnets and weak bonding between Y atom layers and BCnets. YBCis electrically conductive and the contributions to the electrical conductivity are from delocalized Y 4deas well as Bpandpzelectrons. The layered crystal structure, sharp anisotropic mechanical properties, and metallic conductivity endorse YBCpromising as a precursor for new 2D BCnets.展开更多
基金supported by the National Natural Sci-ence Foundation of China(No.22174135,No.21790352)the National Key R&D Program of China(No.2021YFA1500500,No.2016YFA0200600)+4 种基金the Strategic Priority Research Program of Chinese Academy of Sciences(No.XDB36000000)Anhui Initiative in Quantum Information Technologies(No.AHY090100)CAS Project for Young Scientists in Basic Research(No.YSBR-054)Innovation Program for Quantum Science and Technology(No.2021ZD0303301)the Fundamental Research Funds for the Central Universities.
文摘Double-resonance Raman(DRR)scattering in two-di-mensional(2D)materials describes the intravalley or intervalley scattering of an electron or a hole excited by incident photons.Although the presence of defects can provide additional momentum and influence the scat-tering process involving one or two phonons,only the idealized defects without any structural details are considered in tra-ditional DRR theory.Here,the second-order DRR spectra of WSe_(2) monolayer with different types of defects are calculated involving the combinations of acoustic and optical phonons in the vicinity of K(K')and M points of the Brillouin zone.The electronic band structures are modified due to the presence of defects,and the band unfolding method is adopted to show the bending of valence and conduction bands for the defective WSe_(2) monolayers.The associ-ated phononic band structures also exhibit different changes in phonon dispersion curves,re-sulting in different DRR spectra corresponding to the different types of defects in the WSe_(2) monolayers.For example,the existence of W vacancy in the WSe_(2) monolayer would result in downshifts in vibrational frequencies and asymmetrical broadenings in linewidths for most combination modes due to the dramatic changes in contour shape of electronic valleys at K and K'.Moreover,the scattering from K to Q is found to be forbidden for the two Se vacan-cies because of the elevation of conduction band at the Q point.Our work highlights the role of defect structures in the intervalley scattering and may provide better understanding in the underlying physics of DRR process in 2D materials.
基金Supported by the National Natural Science Foundation of China (No. 29872037) and the Natural Science Foundation of Fujian province (No. C0120002)
文摘The title complex [Zn(-O2CCH=CHCO2)(C3H4N2)(H2O)]n was prepared by the reaction of zinc carbonate with maleic acid and imidazole in an aqueous-alcohol solution at 333 K, and its crystal structure has been solved by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group Pc with a = 5.3858(7), b = 22.685(3), c = 7.6782(1) ? = 92.261(2)o, V = 937.4(2) 3, Z = 1, C14H16N4O10Zn2, Mr = 531.05, Dc = 1.882 g/cm3, = 2.623 mm1, F(000) = 532, the final R = 0.0372 and wR = 0.0930 for 1926 observed reflections with I>2s(I). The central zinc atom is five-coordinated in a distorted square pyramidal environment to three oxygen atoms of two different maleate ligands, a nitrogen atom of the imi- dazole ligand and an oxygen atom of water. In the complex two carboxylate groups of the maleate ligands have two coordination modes. One acts as a bidentate chelate ligand and the other a monoatomic monodentate ligand to bridge two zinc centers. As a result, 1-D infinite polymeric chains are formed, which are linked together by pairs of OH…O hydrogen bonds between the coordination water OH groups and carboxylate oxygen atoms to construct a 2-D layered polymer, and the layer structure is stabilized by p-p stacking of the imidozel ligands.
基金financially supported by the National Natural Science Foundation of China(No.21604046)the National Young Thousand Talents Program,Shandong Provincial Natural Science Foundation,China(No.ZR2016XJ004)
文摘Synthetic two-dimensional（2 D） polymers have totally different topology structures compared with traditional linear or branched polymers. The peculiar 2 D structures bring superior properties. Although, from linear to 2 D polymers, the study of these new materials is still in its infancy, they already show potential applications especially in optoelectronics, membranes, energy storage and catalysis, etc. In this review, we summarize the recent progress of the 2 D materials from three respects：（1） Chemistry—different types of polymerization reactions or supramolecular assembly to construct the 2 D networks were described;（2） Preparation methods—surface science, crystal engineering approaches and solution synthesis were introduced;（3） Functionalization and some early applications.
基金supported by MEXT Quantum Leap Flagship Program(MEXT Q-LEAP)Grant Number JPMXS0118067246.
文摘Femtosecond laser pulses with GHz burst mode that consist of a series of trains of ultrashort laser pulses with a pulse interval of several hundred picoseconds offer distinct features in material processing that cannot be obtained by the conventional irradiation scheme of femtosecond laser pulses(single-pulse mode).However,most studies using the GHz burst mode femtosecond laser pulses focus on ablation of materials to achieve high-efficiency and high-quality material removal.In this study,we explore the ability of the GHz burst mode femtosecond laser processing to form laser-induced periodic surface structures(LIPSS)on silicon.It is well known that the direction of LIPSS formed by the single-pulse mode with linearly polarized laser pulses is typically perpendicular to the laser polarization direction.In contrast,we find that the GHz burst mode femtosecond laser(wavelength:1030 nm,intra-pulse duration:220 fs,intra-pulse interval time(intra-pulse repetition rate):205 ps(4.88 GHz),burst pulse repetition rate:200 kHz)creates unique two-dimensional(2D)LIPSS.We regard the formation mechanism of 2D LIPSS as the synergetic contribution of the electromagnetic mechanism and the hydrodynamic mechanism.Specifically,generation of hot spots with highly enhanced electric fields by the localized surface plasmon resonance of subsequent pulses in the bursts within the nanogrooves of one-dimensional LIPSS formed by the preceding pulses creates 2D LIPSS.Additionally,hydrodynamic instability including convection flow determines the final structure of 2D LIPSS.
基金Project supported by the Republic of Moldova through the projects 15.817.02.29F and 17.80013.16.02.04/Ua
文摘We review experimental and theoretical results on thermal transport in semiconductor nanostructures（multilayer thin films, core/shell and segmented nanowires）, single-and few-layer graphene, hexagonal boron nitride, molybdenum disulfide, and black phosphorus. Different possibilities of phonon engineering for optimization of electrical and heat conductions are discussed. The role of the phonon energy spectra modification on the thermal conductivity in semiconductor nanostructures is revealed. The dependence of thermal conductivity in graphene and related two-dimensional（2 D） materials on temperature, flake size, defect concentration, edge roughness, and strain is analyzed.
基金the National Natural Science Foundation of China (Nos. 11572289,1171407,11702252,and 11902293)the China Postdoctoral Science Foundation (No. 2019M652563)。
文摘The interface crack problems in the two-dimensional(2D)decagonal quasicrystal(QC)coating are theoretically and numerically investigated with a displacement discontinuity method.The 2D general solution is obtained based on the potential theory.An analogy method is proposed based on the relationship between the general solutions for 2D decagonal and one-dimensional(1D)hexagonal QCs.According to the analogy method,the fundamental solutions of concentrated point phonon displacement discontinuities are obtained on the interface.By using the superposition principle,the hypersingular boundary integral-differential equations in terms of displacement discontinuities are determined for a line interface crack.Further,Green’s functions are found for uniform displacement discontinuities on a line element.The oscillatory singularity near a crack tip is eliminated by adopting the Gaussian distribution to approximate the delta function.The stress intensity factors(SIFs)with ordinary singularity and the energy release rate(ERR)are derived.Finally,a boundary element method is put forward to investigate the effects of different factors on the fracture.
基金financially supported by the Key Grant for Special Professors in Jiangsu Province(No.RK030STP18001)the Scientific Research Foundation of Nanjing University of Posts and Telecommunications(No.NY218150)“1311 Talents Program”of Nanjing University of Posts and Telecommunications and the National Postdoctoral Program for Innovative Talents(No.BX20190156)。
文摘Hydrogen(H2)is considered to be a promising substitute for fossil fuels.Two-dimensional(2D)nanomaterials have exhibited an efficient electrocatalytic capacity to catalyze hydrogen evolution reaction(HER).Particularly,phase engineering of 2D nanomaterials is opening a novel research direction to endow 2D nanostructures with fascinating properties for deep applications in catalyzing HER.In this review,we briefly summarize the research progress and present the current challenges on phase engineering of 2D nanomaterials for their applications in electrocatalytic HER.Our summary will be of significance to provide fundamental understanding for designing novel 2D nanomaterials with unconventional phases to electrochemically catalyze HER.
基金financially supported by the National Natural Science Foundation of China(Nos.62001189 and 51802177)the Joint Funds of the National Natural Science Foundation of China(No.U22A20140)+2 种基金the Youth Innovation Group Plan of Shandong Province(No.2022KJ095)the Plan for the Introduction and Cultivation of Young Innovative Talent in the Colleges and Universities of Shandong ProvinceSupported by Guiding Fund of Zaozhuang Industrial Technology Research Institute of University of Jinan。
文摘To effectively address energy challenges,it is crucial to explore efficient and stable bifunctional nonprecious metal catalysts.In this study,a Mo-doped nickeliron layered double hydroxide with flower-cluster architecture was successfully prepared by a one-step hydrothermal method,which demonstrated a good water splitting performance.After an appropriate amount of Mo doping,some lattice distortions in the material provided reactive sites for the adsorption and conversion of intermediates,thus optimising the charge distribution of the material.Moreover,the multidimensional void structures formed after doping had a larger specific surface area and accelerated the penetration of the electrolyte,which significantly improved the activity of the catalyst in alkaline media.At 10 mA·cm^(-2),the hydrogen and oxygen evolution overpotentials of Mo-doped nickel-iron double hydroxides(Mo-NiFe LDH/NF-0.2)were 167 and 220 mV,respectively,with an excellent durability up to 24 h.When the Mo-NiFe LDH/NF-0,2 catalyst was used as the cathode and anode of an electrolytic cell,the catalyst achieved a current density of 10 mA·cm^(-2)at an applied voltage of 1.643 V.This study provides a novel approach for designing excellent bifunctional electrocatalysts containing nonprecious metals.
基金Project supported by the National Key Research and Development Program of China(Grant No.2017YFA0303600)the National Natural Science Foundation of China(Grant Nos.11474207 and 11374217)
文摘According to first principle simulations, we theoretically predict a type of stable single-layer graphene oxide（C_2O）.Using density functional theory（DFT）, C_2O is found to be a direct gap semiconductor. In addition, we obtain the absorption spectra of the periodic structure of C_2O, which show optical anisotropy. To study the optical properties of C_2O nanostructures, time-dependent density functional theory（TDDFT） is used. The C_2O nanostructure has a strong absorption near 7 eV when the incident light polarizes along the armchair-edge. Besides, we find that the optical properties can be controlled by the edge configuration and the size of the C_2O nanostructure. With the elongation strain increasing, the range of light absorption becomes wider and there is a red shift of absorption spectrum.
基金the Research Grant of Kwangwoon University in 2024 and the National Research Foundation of Korea(RS-2023-00236572 and RS-2023-00212110)funded by the Korea government(MSIT)the project for Collabo R&D between Industry,University,and Research Institute(RS-2024-00414524)funded by Korea Ministry of SMEs and Startups.
文摘Quasi-two-dimensional(2D)perovskite embodies characteristics of both three-dimensional(3D)and 2D perovskites,achieving the superior external environment stability structure of 2D perovskites alongside the high efficiency of 3D perovskites.This effect is realized through critical structural modifications in device fabrication.Typically,perovskites have an octahedral structure,generally ABX3,where an organic ammonium cation(A’)participates in forming the perovskite structure,with A’_(n)(n=1 or 2)sandwiched between A_(n-1)B_(n)X_(3n+1)perovskite layers.Depending on whether A’is a monovalent or divalent cation,2D perovskites are classified into Ruddlesden-Popper perovskite or Dion-Jacobson perovskite,each generating different structures.Although each structure achieves similar effects,they incorporate distinct mechanisms in their formation.And according to these different structures,various properties appear,and additive and optimizing methods to increase the efficiency of 3D perovskites also exist in 2D perovskites.In this review,scientific understanding and engineering perspectives of the quasi-2D perovskite is investigated,and the optimal structure quasi-2D and the device optimization is also discussed to provide the insight in the field.
基金financially supported by the Key Fund Project of Tianjin Natural Science Foundation(24JCZDJC00510)the Fundamental Research Funds for the Central Universitiespartially supported by the U.S.Department of Energy under Contract No.DE-AC3608GO28308 with Alliance for Sustainable Energy,Limited Liability Company(LLC),the Manager and Operator of the National Renewable Energy Laboratory,through Grant No.DE-SC0020718。
文摘Incorporating organic bulky cations in the precursor or post-treatment to achieve two-dimensional/thr ee-dimensional(2D/3D)heterojunction is an effective strategy for enhancing the stability of perovskite materials.However,the issue of insufficient charge transport in 2D perovskites limits their development,and the fundamental mechanism of out-of-plane carrier transport remains unclear.This study designed and synthesized seven organic phenyl-core cations,differentiated at the 1-and 1,4-positions,and identified the impacts on the corresponding properties of the 2D crystalline perovskite.Shorter cations facilitated a more compact arrangement of adjacent inorganic layers,aligning to favor charge transport along the vertical direction.In addition,introducing high electronegativity led to increased intermolecular interactions,resulting in enhanced structural stability and improved phenyl ring π-orbital overlap and interlayer electron coupling,yielding efficient charge transport.Resilience to thermal stressing of the perovskite was strongly correlated with the carbon chain length of the spacer cations.The increase in cation length and the reduction in the rigidity of the amino-terminal both aided in the dispersion of thermal stress in the inorganic framework.Additional hydrogen bonding also contributed to mitigating structural disorder.
基金financially supported by the National Natural Science Foundation of China (Grant No. 42002133)Science Foundation of China University of Petroleum,Beijing No.2462024XKBH009+1 种基金the 2022 AAPG Foundation Grants-in-Aid ProgramChina National Postdoctoral Science Foundation(BX20240425 and 2024M753611)
文摘With the development of unconventional hydrocarbon, how to improve the shale oil and gas recovery become urgent. Therefore hydraulic fracturing becomes the key due to the complicated properties of the reservoirs. The pore structure not only plays an essential role in the formation of complex fracture networks after fracturing but also in resource accumulation mechanism analyses. The lacustrine organicrich shale samples were selected to carry out petrophysical experiments. Scanning Electron Microscopy(SEM) and X-ray Diffraction were performed to elucidate the geology characteristics. MICP, 2D NMR, CT,and N2adsorption were conducted to classify the pore structure types. The contribution of pore structure to oil accumulation and hydrocarbon enrichment was explained through the N2adsorption test on the original and extracted state and 2D NMR. The results show that micropores with diameter less than20 nm are well-developed. The pore structure was divided into three types. Type Ⅰ is characterized by high porosity, lower surface area, and good pore throat connectivity, with free oil existing in large pores,especially lamellation fractures. The dominant nano-pores are spongy organic pores and resources hosted in large pores have been expelled during high thermal evolution. The content of nano-pores(micropores) increases and the pore volume decreases in Type Ⅱ pore structure. In addition, more absorbed oil was enriched. The pore size distribution of type Ⅱ is similar to that of type Ⅰ. However, the maturity and hydrocarbon accumulation is quite different. The oil reserved in large pores was not expelled attributed to the relatively low thermal evolution compared with type Ⅰ. Structural vitrinite was observed through SEM indicating kerogen of type Ⅲ developed in this kind of reservoir while the type of kerogen in pore structure Ⅰ is type Ⅱ. Type Ⅲ pore structure is characterized by the largest surface area,lowest porosity, and almost isolated pores with rarely free oil. Type Ⅰ makes the most contribution to hydrocarbon accumulation and immigration, which shows the best prospect. Of all of these experiments,N2adsorption exhibits the best in characterizing pores in shales due to its high resolution for the assessment of nano-scale pores. MICP and NMR have a better advantage in characterizing pore space of sandstone reservoirs, even tight sandstone reservoirs. 2D NMR plays an essential role in fluid recognition and saturation calculation. CT scanning provides a 3D visualization of reservoir space and directly shows the relationship between pores and throats and the characteristics of fractures. This study hopes to guide experiment selection in pore structure characterization in different reservoirs. This research provides insight into hydrocarbon accumulation of shales and guidance in the exploration and development of unconventional resources, for example for geothermal and CCUS reservoirs.
基金supported by the National Natural Science Foundation of China(No.51874036)the Natural Science Foundation of Ningxia(No.2024AAC02034)。
文摘Two-dimensional(2D) nanomaterials have always been regarded as having great development potential in the field of oil-based lubrication due to their designable structures,functional groups,and abundant active sites.However,understanding the structure-performance relationship between the chemical structure of 2D nanomaterials and their lubrication performance from a comprehensive perspective is crucial for guiding their future development.This review provides a timely and comprehensive overview of the applications of 2D nanomaterials in oil-based lubrication.First,the bottlenecks and mechanisms of action of 2D nanomaterials are outlined,including adsorption protective films,charge adsorption effects,tribochemical reaction films,interlayer slip,and synergistic effects.On this basis,the review summarizes recent structural regulation strategies for 2D nanomaterials,including doping engineering,surface modification,structural optimization,and interfacial mixing engineering.Then,the focus was on analyzing the structure-performance relationship between the chemical structure of 2D nanomaterials and their lubrication performance.The effects of thickness,number of layers,sheet diameter,interlayer spacing,Moiré patterns,wettability,functional groups,concentration,as well as interfacial compatibility and dispersion behavior of 2D nanomaterials were systematically investigated in oil-based lubrication,with the intrinsic correlations resolved through computational simulations.Finally,the review offers a preliminary summary of the significant challenges and future directions for 2D nanomaterials in oil-based lubrication.This review aims to provide valuable insights and development strategies for the rational design of high-performance oil-based lubrication materials.
基金supported by NSF of China(Grant No.61775241)partly by the Innovation-driven Project(Grant No.2017CX019)the funding support from the Australian Research Council(ARC Discovery Projects,DP180102976)
文摘With a large number of researches being conducted on two?dimen?sional(2D)materials,their unique properties in optics,electrics,mechanics,and magnetics have attracted increasing attention.Accordingly,the idea of combining distinct functional 2D materials into heterostructures naturally emerged that pro?vides unprecedented platforms for exploring new physics that are not accessible in a single 2D material or 3D heterostructures.Along with the rapid development of controllable,scalable,and programmed synthesis techniques of high?quality 2D heterostructures,various heterostructure devices with extraordinary performance have been designed and fabricated,including tunneling transistors,photodetectors,and spintronic devices.In this review,we present a summary of the latest progresses in fabrications,properties,and applications of di erent types of 2D heterostruc?tures,followed by the discussions on present challenges and perspectives of further investigations.
基金supported by the National Natural Science Funds for Distinguished Young Scholar (No.20725723)the National Basic Research Program of China(No. 2010CB732300)the National High Technology Research and Development Program of China (No.2006AA06A310)
文摘Mesostructured Co3O4-CeO2 composite was found to be an effective catalytic material for the complete oxidation of benzene. The Co3O4-CeO2 catalysts with different Co/Ce ratios （mol/mol） were prepared via the nanocasting method and the mesostructure was replicated from two-dimensional （2D） hexagonal SBA-15 and three-dimensional （3D） cubic KIT-6 silicas, respectively. All the obtained Co3O4-CeO2 catalysts exhibited the similar symmetry with the parent silicas and well ordered mesostructures. The Co3O4- CeO2 catalysts with 2D mesostructure showed lower catalytic activities than the corresponding 3D materials. The Co3O4-CeO2 catalyst nanocasted from KIT-6 and with the Co/Ce ratio of 16/1 possessed the best catalytic benzene oxidation activity due to larger quantities of surface hydroxyl groups and surface oxygenated species. The mesostructured Co3O4-CeO2 material thus shows great potential as a promising eco-environmental catalyst for benzene effective elimination.
基金Funded by the Foundation for Hubei Provincial Key Laboratory of Green Materials for Light Industry(Nos.201710A15)
文摘We prepared a two-dimensional transition metal carbide Ti_2CT_x by treatment of Ti_2 AlC in molten fluoride salt. Two fluorinated salt systems were used to etch Al from Ti_2 AlC powder precursor under the argon atmosphere, and then the resulting MXene was delaminated with TBAOH to produce few-layered nanosheets of Ti_2CT_x. The reaction was undergone at different temperatures to study the effect of temperature.The results show that the optimal reaction temperature is 600 ℃ in LiF-NaF-KF system, and 850 ℃ in NaFKF system. The molten salt treated products are delaminated and quasi-2 D MXene sheets can be obtained. The thickness of the MXene sheets prepared from the binary molten salt system is smaller than that of the ternary molten salt system.
基金Project supported by National Research and Innovation Agency through Rumah Program Organisasi Riset Nanoteknologi dan Material Maj u(ORNM)2024Indonesia Ministry of Finance through the competitive research program of RISPRO Kompetisi(PRJ-68/LPDP/2023)。
文摘Structural modification of three dimensional(3D)materials for the application of dielectric loss-based microwave absorbing materials(MAMs)usually relies on intricate synthesis process and can pose challenges in terms of scalability and mass production for practical application.In this work,we reported a successful attempt in modifying the 3D structure of mesoporous lanthanum oxide(La_(2)O_(3))for effective broadband MAMs candidate via simple co-precipitation process.The inclusion of cetyltrimethylammonium bromide(CTAB)and hydrothermal aging treatment result in a significant transformation of La_(2)O_(3)particles from their original polygonal form to a 3D coral-like and nano needle-like structure.The utilization of CTAB and hydrothermal aging results in the increase of surface area and a two-fold increase in pore volume of the resulting La_(2)O_(3).Due to its unique 3D structure,the 3D coral-like and nano needle-like La_(2)O_(3)materials possess a broadband electromagnetic(EM)wave absorption characteristic with the effective absorption bandwidth(EAB)covering the C-band frequency range.Specifically,in the La_(2)O_(3)C-H sample(with CTAB-with hydrothermal),it exhibits strong EM wave absorption with a reflection loss(RL)value of-33.07 dB which equals to 99.95%EM wave absorption at a thickness of only 1.50 mm.The detailed analysis of EM wave absorption properties reveals that the improvement of La_(2)O_(3)materials to attenuate EM wave energy arises from the dielectric loss phenomenon,the enhanced interfacial polarization,multiple reflections mechanism,and conduction loss mechanism induced by the 3D structural formation of the La_(2)O_(3)structure.This work proposes a novel and efficient approach in synthesizing and modifying 3D materials for effective broadband EM wave absorption.
基金Supported by the National Natural Science Foundation of China (No. 20962007)
文摘Fifteen novel 2-（3-oxobenzo[d]isothiazol-2（3H）-yl）ethyl benzoates were synthesi- zed by the condensation of 2-（2-hydroxyethyl）benzo[d]isothiazol-3（2H）-one with substituted benzoic acids in dichloromethane. All the compounds were characterized by elemental analysis, IR, ESI-MS and 1H NMR. The crystal structures for 2-（2-hydroxyethyl）benzo[d]isothiazol-3（2H）-one （2） and 2-（3-oxobenzo[d]isothiazol-2（3H）-yl）ethyl 2-methoxybenzoate （30） have been determined by X-ray crystal structure analysis. Compound 2 （C9H9NO2S） crystallizes in the monoclinic system, space group Pn with a = 10.552（3）, b = 7.849（2）, c = 10.765（4） A, β = 103.128（4）°, V= 868.3（5） A3, Mr = 195.24, Dc = 1.493 Mg.m-3, μ = 0.33 mm-1, F（000） = 408, Z = 4, R= 0.0314 and wR= 0.0628. Compound 30 （C17H15NO4S） crystallizes in the triclinic system, space group P1 with a = 8.028（2）, b = 9.300（2）, c = 10.430（3）A, V= 752.1（3）A3, Mr = 329.36, D,= 1.454 Mg.m-3, p = 0.24 mm-1, F（000） = 344, Z = 2, R = 0.0377 and wR = 0.0904. The preliminary biological test indicated that the title compounds show better growth inhibitory activity against the gram-positive bacteria than the gram-negative bacteria.
基金Supported by the National Natural Science Foundation of China (No. 20962007)the Creative Talents Plan of Hainan University 211 Project
文摘Two compounds,3-oxo-N-o-tolylbenzo[d]isothiazole-2（3H）-carboxamide （1） and N-（2-methoxyphenyl）-3-oxobenzo[d]isothiazole-2（3H）-carboxamide （2）,were synthesized from the initial compound benzo[d]isothiazol-3（2H）-one （BIT） and characterized by 1 H NMR,IR and elemental analysis,respectively.The single crystals of compounds 1 and 2 were obtained and determined by X-ray diffraction analysis.The preliminary results of biological activity experiment show that some of the title compounds exhibited a favorable antimicrobial activity.
基金supported by the National Science Foundation of China under Grant No. U1435206 and No. 51672064the Beijing Municipal Science & Technology Commission under grant number Z151100003315012 and D161100002416001
文摘Layered compounds play pivotal roles as precursors for producing 2D materials through mechanical exfoliation(micro-mechanical cleavage) or chemical approaches. Therefore, searching for layered compounds with sharp anisotropic chemical bonding and properties becomes emergent. In this work, the stability, electronic structure, elastic properties, and lattice dynamics of YBCwere investigated. Strong anisotropy in elastic properties is revealed, i.e., high Young’s modulus in a-b plane but low Young’s modulus in c direction. The maximum to minimum Young’s modulus ratio is 2.41 and 2.45 for YBCwith P42/mmc and P4/mbm symmetry, respectively. The most likely systems for shear sliding or microdelaminating are(001)[100] and(001)[010]. The anisotropic elastic properties are underpinned by the anisotropic chemical bonding, i.e., strong bonding within the BCnets and weak bonding between Y atom layers and BCnets. YBCis electrically conductive and the contributions to the electrical conductivity are from delocalized Y 4deas well as Bpandpzelectrons. The layered crystal structure, sharp anisotropic mechanical properties, and metallic conductivity endorse YBCpromising as a precursor for new 2D BCnets.
