The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity funct...The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity functional theory.The results show that intrinsic 2D GaSe is a p-type nonmagnetic semiconductor with an indi-rect bandgap of 2.6611 eV.The spin-up and spin-down channels of Sc-,Y-,and La-doped 2D GaSe are symmetric,they are non-magnetic semiconductors.The magnetic moments of Ce-and Eu-doped 2D GaSe are 0.908μ_(B)and 7.163μ_(B),which are magnetic semiconductors.Impurity energy levels appear in both spin-up and spin-down chan-nels of Eu-doped 2D GaSe,which enhances the probability of electron transition.Compared with intrinsic 2D GaSe,the static dielectric constant of the doped 2D GaSe increases,and the polarization ability is strengthened.The ab-sorption spectrum of the doped 2D GaSe shifts in the low-energy direction,and the red-shift phenomenon occurs,which extends the absorption spectral range.The optical reflection coefficient of the doped 2D GaSe is improved in the low energy region,and the improvement of Eu-doped 2D GaSe is the most obvious.展开更多
Magnetotransport properties of two-dimensional electron gases (2DEG) in AlxGa1-x N/GaN heterostructures with different Al compositions are investigated by magnetotransport measurements at low temperatures and in hig...Magnetotransport properties of two-dimensional electron gases (2DEG) in AlxGa1-x N/GaN heterostructures with different Al compositions are investigated by magnetotransport measurements at low temperatures and in high magnetic fields. It is found that heterostructures with a lower Al composition in the barrier have lower 2DEG concentration and higher 2DEG mobility.展开更多
The two-dimensional gravity model with a coupling constant and a vanishing cosmological constant coupled to a nonlinear matter field is investigated. We found that the classical equations of motion are exactly solvab...The two-dimensional gravity model with a coupling constant and a vanishing cosmological constant coupled to a nonlinear matter field is investigated. We found that the classical equations of motion are exactly solvable and the static solutions of the induced metric and scalar curvature can be obtained analytically. These solutions may be used to describe the naked singularity at the origin.展开更多
According to the structure features of Fe80P20, A series of clusters Fe4P were designed and focused on studying the stability of local structure, charge distribution and chemical bond, Using the DFT method, energy and...According to the structure features of Fe80P20, A series of clusters Fe4P were designed and focused on studying the stability of local structure, charge distribution and chemical bond, Using the DFT method, energy and structure of Fe4P clusters were optimized and analyzed. The computational results showed that the energy of cluster 1(2) has the lowest energy, and the possibility of its existence in the Fe80P20 is high. Analyzing the transition states among the clusters, it was found that the clusters in the doublet state are more stable than those in the quartet state. The numbers of the Fe-P bond in the clusters play important roles in the cluster stability and electrons transfer properties, The more numbers of Fe-P bonds in the clusters, the higher the cluster stability, and the weaker the ability of P atom to get electron, The number of Fe atoms, which has bonding interactions with the P atom, is direct proportional to the average 3d orbit population of Fe atom. Basing on the orbital population, average magnetic moments of each Fe atom in the Fe4P clusters were calculated, and they are all smaller than that of single metal Fe atom. This suggests that all Fe4P clusters have soft magnetic property and they are expected to be perfect material for preparing soft magnetic apparatus.展开更多
Mechanical behaviors of granular materials are complicated and greatly influenced by the particle shape.Current,some composite approaches have been proposed for realistic particle shape modelling within discrete eleme...Mechanical behaviors of granular materials are complicated and greatly influenced by the particle shape.Current,some composite approaches have been proposed for realistic particle shape modelling within discrete element method(DEM),while they cannot give a good representation to the shape and mass properties of a real particle.In this work,a novel algorithm is developed to model an arbitrary particle using a cluster of non-overlapping disks.The algorithm mainly consists of two components:boundary filling and domain filling.In the boundary filling,some disks are placed along the boundary for a precise representation of the particle shape,and some more disks are placed in the domain to give an approximation to the mass properties of the particle in the domain filling.Besides,a simple method is proposed to correct the mass properties of a cluster after domain filling and reduce the number of the disks in a cluster for lower computational load.Moreover,it is another great merit of the algorithm that a cluster generated by the algorithm can be used to simulate the particle breakage because of no overlaps between the disks in a cluster.Finally,several examples are used to show the robust performance of the algorithm.A current FORTRAN version of the algorithm is available by contacting the author.展开更多
The thermodynamic properties of 135 polybrominated dibenzothiophenes (PBDTs) in the gaseous state at 298.15 K and 1.013×10^5 Pa, are calculated using the density functional theory (the B3LYP/6-311G^**) wit...The thermodynamic properties of 135 polybrominated dibenzothiophenes (PBDTs) in the gaseous state at 298.15 K and 1.013×10^5 Pa, are calculated using the density functional theory (the B3LYP/6-311G^**) with Gaussian 03. Based on these data, the isodesmic reacflons are designed to calculate the standard enthalpy of formation (△fH^θ) and the standard Gibbs energy of formation (△fG^θ) of PBDTs. The relations of these thermodynamic parameters with the number and positionof bromine subsfituents (NPBS) are discussed, and it is found that there exist good correlations between othermody namic parameters (including heat capacity at constant volume, entropy, enthaipy, free energy, △fH^θ, △fG^θ) and NPBS. Thoe relative stability order of PBDT congeners is proposed theoretically based on the relative magnitude of their △fG^θ. In addition, the values of molar heat capacities at constant pressure (Cp,m) for PBDT c ongelaers are calculated.展开更多
To increase customers'satisfaction and promote product's competitiveness,a customized extended warranty(EW)policy is proposed,where the diversities in both the usage rate and purchase date are considered.The m...To increase customers'satisfaction and promote product's competitiveness,a customized extended warranty(EW)policy is proposed,where the diversities in both the usage rate and purchase date are considered.The marginal approach is applied to describe the product's two-dimensional failure in terms of age and usage,respectively.Moreover,minimal repair is adopted to restore the failure,and the virtual age method is applied to depict the effect of preventive maintenance(PM).On this basis,an optimization model is established to minimize the maintenance cost and warranty cost from the manufacturer's view,and multiple factors are taken into account,including the PM's intensity and its period,and EW's interval,etc.A numerical case study is provided to illustrate the effectiveness of the proposed approach.The results show that by considering the product's usage rate and the purchasing date of EW,the number of failures as well as the cost of maintenance and warranty can be reduced effectively.展开更多
The gradient model of two-dimensional defectless medium is formulated. A graphene sheet is examined as an example of such two-dimensional medium. The problem statement of a graphene sheet deforming in its plane and th...The gradient model of two-dimensional defectless medium is formulated. A graphene sheet is examined as an example of such two-dimensional medium. The problem statement of a graphene sheet deforming in its plane and the bending problem are examined. It is ascertained that the statement of the first problem is equivalent to the flat problem statement of Toupin gradient theory. The statement of the bending problem is equivalent to the plate bending theory of Timoshenko with certain reserves. The characteristic feature of both statements is the fact that the mechanical properties of the sheet of graphene are not defined by “volumetric” moduli but by adhesive ones which have different physical dimension that coincides with the dimension of the corresponding stiffness of classical and nonclassical plates.展开更多
The controlled synthesis of gold nanocrystals has been the subject of intensive studies for decades because the properties and functions of gold nanomaterials are highly dependent on their particle size, shape, and di...The controlled synthesis of gold nanocrystals has been the subject of intensive studies for decades because the properties and functions of gold nanomaterials are highly dependent on their particle size, shape, and dimensionality. Especially, anisotropic gold nanocrystals, such as nanowires, nanobelts, nanoplates and nanosheets, have attracted much attention due to their striking properties and promising applications in electronics, catalysis, photonics, sensing and biomedicine. In this review, we will summarize the recent developments of one- dimensional (1D) and two-dimensional (2D) gold nanostructures. Various kinds of synthetic methods for preparation of these 1D and 2D gold nanocrystals will be described. Moreover, we will also briefly introduce the properties and potential applications of these 1D and 2D gold nanocrystals.展开更多
In this paper,the behavior of a salt-gradient solar pond with the square cross-section has been studied experimentally and numerically.A small-scale solar pond were designed and built to provide quantitative data.A tw...In this paper,the behavior of a salt-gradient solar pond with the square cross-section has been studied experimentally and numerically.A small-scale solar pond were designed and built to provide quantitative data.A two-dimensional,transient heat and mass transfer model has been solved numerically by using finite-control-volume method.In this study,all the thermo-physical properties are variable as the function of temperature and salt concentration.Numerical results as obtained for the experimental pond have been satisfactorily compared and validated against measured data.Furthermore,the wall shading effect has been elaborated to improve the agreement between two sets of results.The temperature of the storage zone is predicted well by the model.It also can be observed that the initial concentration profile is preserved with time.The stability of the pond in time has been investigated in order to distinguish the critical zones.Finally,the application of an energy analysis gives an efficiency of about 12%for the pond.展开更多
Two-dimensional (2D) materials are highly promising for flexible electronics, and graphene is the only well-studied transparent conductor. Herein, density functional theory has been used to explore a new transparent...Two-dimensional (2D) materials are highly promising for flexible electronics, and graphene is the only well-studied transparent conductor. Herein, density functional theory has been used to explore a new transparent conducting material via adsorption of H on a 2D β-GaS sheet. This adsorption results in geometrical changes to the local structures around the H. The calculated electronic structures reveal metallic characteristics of the 2D α-GaS material upon H adsorption and a large optical band gap of 2.72 eV with a significant Burstein-Moss shift of 0.67 eVo The simulated electrical resistivity is as low as 10^-4 Ω.cm, comparable to the benchmark for ITO thin films.展开更多
Noble metal nanomaterials have been extensively explored in cancer diagnostic and therapeutic applica- tions owing to their unique physical and chemical properties, such as facile synthesis, straightforward surface fu...Noble metal nanomaterials have been extensively explored in cancer diagnostic and therapeutic applica- tions owing to their unique physical and chemical properties, such as facile synthesis, straightforward surface functionalization, strong photothermal effect, and excellent biocompatibility. Herein, we summa- rize the recent development of two-dimensional (2D) Pd-based nanomaterials and their applications in cancer diagnosis and therapy. Different synthetic strategies for Pd nanosheets and the related nanostruc- tures, including Pd@Au, Pd@Ag nanoplates and mesocrystalline Pd nanocomlla, are first discussed. Together with their unique properties, the potential bioapplications of these 2D Pd nanomaterials are then demonstrated. With strong absorption in near-infrared (NIR) region, these nanomaterials have great potentials in cancer photothermal therapy (PTr). They also readily act as contrast agents in photoacoustic (PA) imaging or X-ray computed tomography (CT) to achieve image-guided cancer therapy. Moreover, significant efforts have been devoted to studying the combination of PTr and other treatment modalities (e.g., chemotherapy or photodynamic therapy) based on Pd nanomaterials. The remarkable synergistic or collaborative effects to achieve better therapeutic efficacy are discussed as well. Additionally, the biosaf- ety of 2D Pd-based nanomaterials in vitro and in vivo was evaluated. Finally, challenges for the applica- tions of Pd-based nanomaterials in cancer diagnosis and therapy, and future research prospects are highlighted.展开更多
Recently,two dimensional transition metal dichalcogenides MX_2(M = Mo,W,etc; X = S,Se,Te) have ignited immense interests because of their unique structural and physical properties for the potential applications in the...Recently,two dimensional transition metal dichalcogenides MX_2(M = Mo,W,etc; X = S,Se,Te) have ignited immense interests because of their unique structural and physical properties for the potential applications in the nano-optoelectronics,valley-spintronics etc. In terms of the structural compatibility and van der Waals interaction,two dimensional(2D) MX_2 layers can be fabricated into various lateral and vertical hetero-structures. The atomically-thin hetero-structures comprising different layered MX_2 provide a new platform for exploring fundamental physics and device technologies with unprecedented phenomenon and extraordinary functionalities. In this review,we report the recent progress about the fabrication,properties and applications of 2D hetero-structures based on transition metal dichalcogenides.展开更多
It is the nature of crystals to exist in different polymorphs. The recent emergence of two-dimensional(2 D) materials has evoked the discovery of a number of new crystal phases that are different from their bulk struc...It is the nature of crystals to exist in different polymorphs. The recent emergence of two-dimensional(2 D) materials has evoked the discovery of a number of new crystal phases that are different from their bulk structures at ambient conditions, and revealed novel structure-dependent properties, which deserve in-depth understanding and further exploration. In this contribution, we review the recent development of crystal phase control in 2 D materials, including group V and VI. transition metal dichalcogenides(TMDs), group IVA metal chalcogenides and noble metals. For each group of materials, we begin with introducing the various existing crystal phases and their structure-related properties, followed by a detailed discussion on factors that influence these crystal structures and thus the possible strategies for phase control. Finally, after summarizing the whole paper, we present the challenges and opportunities in this research direction.展开更多
Two-dimensional(2D)materials possess unique thickness-and lateral-size-dependent properties.Many efforts have been devoted to obtaining 2D materials with narrow structure heterogeneity while it is still challenging to...Two-dimensional(2D)materials possess unique thickness-and lateral-size-dependent properties.Many efforts have been devoted to obtaining 2D materials with narrow structure heterogeneity while it is still challenging to independently control their thickness and lateral size,limiting their widespread applications.Here,we develop a three-step method which achieves independent thickness and lateral size sorting of 2D materials.Taking 2D h-BN flakes as an example,their thickness and lateral size are independently sorted to different fractions with thicknesses smaller than 6 nm.In addition,the 2D h-BN flakes possess narrow distributions of both thickness and lateral size.We further develop a force field extraction method and achieve scalable size sorting of 2D h-BN,which is universal for sorting other 2D materials including MoS2 and graphene oxide.This work reports an effective method to produce structure homogenous 2D materials and will help fundamental studies and applications of 2D materials where thickness and lateral size are of concern.展开更多
MXenes, a new family of multifunctional two dimensional(2D) solid crystals integrating high electroconductivity and rich surface chemistries, are promising candidates for electrolysis, which, however, have rarely been...MXenes, a new family of multifunctional two dimensional(2D) solid crystals integrating high electroconductivity and rich surface chemistries, are promising candidates for electrolysis, which, however, have rarely been reported. Herein, free-standing ultrathin 2D MXene nanosheets were successfully fabricated from bulky and rigid MAX phase ceramics by liquid exfoliation with HF etching(delamination) and TPAOH intercalation(disintegration).The high oxygen reduction reaction(ORR) performance has been obtained, due to the extremely small thickness of the asfabricated Ti3C2 around 0.5–2.0 nm, equivalent to the dimensions of single-layer or double-layer Ti3C2 nanosheets in thickness. The ORR performance of the obtained Ti3C2 MXene-based catalyst exhibits desirable activity and stability in alkaline media. This study demonstrates the potential of earth-abundant 2D MXenes for constructing high-performance and cost-effective electrocatalysts.展开更多
Since silicon is limited by its physical properties,it is challenging and important to find candidate materials for high performance electronic devices.Two-dimensional(2D)semiconductor materials have attracted drama...Since silicon is limited by its physical properties,it is challenging and important to find candidate materials for high performance electronic devices.Two-dimensional(2D)semiconductor materials have attracted dramatically increasing interest due to their unique physical,展开更多
In this work, thermodynamical properties of a two-dimensional (21)) Lennard-Jones (L J) fluid are studied. Here, to increase the accuracy of our theoretical calculations, the correlation functions in three-partic...In this work, thermodynamical properties of a two-dimensional (21)) Lennard-Jones (L J) fluid are studied. Here, to increase the accuracy of our theoretical calculations, the correlation functions in three-particle level (triplet) are applied. To obtain the triplet correlation functions, the Attard's source particle method is extended to 21) systems. In the Attard's procedure, the inhomogeneous Ornstein Zernike (OZ) equation is solved using the Treizenberg Zwanzwig (TZ) expression and a closure relation like the hy2ernetted-chain (HNC) approximation. In the present work, we also have performed the Monte Carlo (MC) simulation. The theoretical results are in fairly agreement with the MC simulation. Also, our results show that the approach proposed here is suitable to study the 2D LJ fluid.展开更多
文摘The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity functional theory.The results show that intrinsic 2D GaSe is a p-type nonmagnetic semiconductor with an indi-rect bandgap of 2.6611 eV.The spin-up and spin-down channels of Sc-,Y-,and La-doped 2D GaSe are symmetric,they are non-magnetic semiconductors.The magnetic moments of Ce-and Eu-doped 2D GaSe are 0.908μ_(B)and 7.163μ_(B),which are magnetic semiconductors.Impurity energy levels appear in both spin-up and spin-down chan-nels of Eu-doped 2D GaSe,which enhances the probability of electron transition.Compared with intrinsic 2D GaSe,the static dielectric constant of the doped 2D GaSe increases,and the polarization ability is strengthened.The ab-sorption spectrum of the doped 2D GaSe shifts in the low-energy direction,and the red-shift phenomenon occurs,which extends the absorption spectral range.The optical reflection coefficient of the doped 2D GaSe is improved in the low energy region,and the improvement of Eu-doped 2D GaSe is the most obvious.
文摘Magnetotransport properties of two-dimensional electron gases (2DEG) in AlxGa1-x N/GaN heterostructures with different Al compositions are investigated by magnetotransport measurements at low temperatures and in high magnetic fields. It is found that heterostructures with a lower Al composition in the barrier have lower 2DEG concentration and higher 2DEG mobility.
文摘The two-dimensional gravity model with a coupling constant and a vanishing cosmological constant coupled to a nonlinear matter field is investigated. We found that the classical equations of motion are exactly solvable and the static solutions of the induced metric and scalar curvature can be obtained analytically. These solutions may be used to describe the naked singularity at the origin.
文摘According to the structure features of Fe80P20, A series of clusters Fe4P were designed and focused on studying the stability of local structure, charge distribution and chemical bond, Using the DFT method, energy and structure of Fe4P clusters were optimized and analyzed. The computational results showed that the energy of cluster 1(2) has the lowest energy, and the possibility of its existence in the Fe80P20 is high. Analyzing the transition states among the clusters, it was found that the clusters in the doublet state are more stable than those in the quartet state. The numbers of the Fe-P bond in the clusters play important roles in the cluster stability and electrons transfer properties, The more numbers of Fe-P bonds in the clusters, the higher the cluster stability, and the weaker the ability of P atom to get electron, The number of Fe atoms, which has bonding interactions with the P atom, is direct proportional to the average 3d orbit population of Fe atom. Basing on the orbital population, average magnetic moments of each Fe atom in the Fe4P clusters were calculated, and they are all smaller than that of single metal Fe atom. This suggests that all Fe4P clusters have soft magnetic property and they are expected to be perfect material for preparing soft magnetic apparatus.
基金Project(2011CB013504)supported by the National Basic Research Program(973 Program)of ChinaProject(2013BAB06B01)supported by Key Projects in the National Science&Technology Pillar Program during the Twelfth Five-year Plan Period,China+1 种基金Projects(51309089,51479049)supported by National Natural Science Foundation of ChinaProject(487237)supported by Natural Sciences and Engineering Research Council of Canada
文摘Mechanical behaviors of granular materials are complicated and greatly influenced by the particle shape.Current,some composite approaches have been proposed for realistic particle shape modelling within discrete element method(DEM),while they cannot give a good representation to the shape and mass properties of a real particle.In this work,a novel algorithm is developed to model an arbitrary particle using a cluster of non-overlapping disks.The algorithm mainly consists of two components:boundary filling and domain filling.In the boundary filling,some disks are placed along the boundary for a precise representation of the particle shape,and some more disks are placed in the domain to give an approximation to the mass properties of the particle in the domain filling.Besides,a simple method is proposed to correct the mass properties of a cluster after domain filling and reduce the number of the disks in a cluster for lower computational load.Moreover,it is another great merit of the algorithm that a cluster generated by the algorithm can be used to simulate the particle breakage because of no overlaps between the disks in a cluster.Finally,several examples are used to show the robust performance of the algorithm.A current FORTRAN version of the algorithm is available by contacting the author.
基金Supported by the National Natural Science Foundation of China (20737001).
文摘The thermodynamic properties of 135 polybrominated dibenzothiophenes (PBDTs) in the gaseous state at 298.15 K and 1.013×10^5 Pa, are calculated using the density functional theory (the B3LYP/6-311G^**) with Gaussian 03. Based on these data, the isodesmic reacflons are designed to calculate the standard enthalpy of formation (△fH^θ) and the standard Gibbs energy of formation (△fG^θ) of PBDTs. The relations of these thermodynamic parameters with the number and positionof bromine subsfituents (NPBS) are discussed, and it is found that there exist good correlations between othermody namic parameters (including heat capacity at constant volume, entropy, enthaipy, free energy, △fH^θ, △fG^θ) and NPBS. Thoe relative stability order of PBDT congeners is proposed theoretically based on the relative magnitude of their △fG^θ. In addition, the values of molar heat capacities at constant pressure (Cp,m) for PBDT c ongelaers are calculated.
基金The National Natural Science Foundation of China(No.71671035)the Project of 2018 Intelligent Manufacturing Comprehensive Standard of Ministry of Industry and Information Technology of Chinathe Open Fund of Jiangsu Wind Power Engineering Technology Center of China(No.ZK19-03-03)。
文摘To increase customers'satisfaction and promote product's competitiveness,a customized extended warranty(EW)policy is proposed,where the diversities in both the usage rate and purchase date are considered.The marginal approach is applied to describe the product's two-dimensional failure in terms of age and usage,respectively.Moreover,minimal repair is adopted to restore the failure,and the virtual age method is applied to depict the effect of preventive maintenance(PM).On this basis,an optimization model is established to minimize the maintenance cost and warranty cost from the manufacturer's view,and multiple factors are taken into account,including the PM's intensity and its period,and EW's interval,etc.A numerical case study is provided to illustrate the effectiveness of the proposed approach.The results show that by considering the product's usage rate and the purchasing date of EW,the number of failures as well as the cost of maintenance and warranty can be reduced effectively.
文摘The gradient model of two-dimensional defectless medium is formulated. A graphene sheet is examined as an example of such two-dimensional medium. The problem statement of a graphene sheet deforming in its plane and the bending problem are examined. It is ascertained that the statement of the first problem is equivalent to the flat problem statement of Toupin gradient theory. The statement of the bending problem is equivalent to the plate bending theory of Timoshenko with certain reserves. The characteristic feature of both statements is the fact that the mechanical properties of the sheet of graphene are not defined by “volumetric” moduli but by adhesive ones which have different physical dimension that coincides with the dimension of the corresponding stiffness of classical and nonclassical plates.
文摘The controlled synthesis of gold nanocrystals has been the subject of intensive studies for decades because the properties and functions of gold nanomaterials are highly dependent on their particle size, shape, and dimensionality. Especially, anisotropic gold nanocrystals, such as nanowires, nanobelts, nanoplates and nanosheets, have attracted much attention due to their striking properties and promising applications in electronics, catalysis, photonics, sensing and biomedicine. In this review, we will summarize the recent developments of one- dimensional (1D) and two-dimensional (2D) gold nanostructures. Various kinds of synthetic methods for preparation of these 1D and 2D gold nanocrystals will be described. Moreover, we will also briefly introduce the properties and potential applications of these 1D and 2D gold nanocrystals.
文摘In this paper,the behavior of a salt-gradient solar pond with the square cross-section has been studied experimentally and numerically.A small-scale solar pond were designed and built to provide quantitative data.A two-dimensional,transient heat and mass transfer model has been solved numerically by using finite-control-volume method.In this study,all the thermo-physical properties are variable as the function of temperature and salt concentration.Numerical results as obtained for the experimental pond have been satisfactorily compared and validated against measured data.Furthermore,the wall shading effect has been elaborated to improve the agreement between two sets of results.The temperature of the storage zone is predicted well by the model.It also can be observed that the initial concentration profile is preserved with time.The stability of the pond in time has been investigated in order to distinguish the critical zones.Finally,the application of an energy analysis gives an efficiency of about 12%for the pond.
基金This work was financially supported by National University of Singapore, Ministry of Education of Singapore, Ministry of Defence of Singapore, National Research Foundation of Singapore and National Natural Science Foundation of China (Nos. 21233006 and 21473164).
文摘Two-dimensional (2D) materials are highly promising for flexible electronics, and graphene is the only well-studied transparent conductor. Herein, density functional theory has been used to explore a new transparent conducting material via adsorption of H on a 2D β-GaS sheet. This adsorption results in geometrical changes to the local structures around the H. The calculated electronic structures reveal metallic characteristics of the 2D α-GaS material upon H adsorption and a large optical band gap of 2.72 eV with a significant Burstein-Moss shift of 0.67 eVo The simulated electrical resistivity is as low as 10^-4 Ω.cm, comparable to the benchmark for ITO thin films.
基金supported by the National Natural Science Foundation of China (21101131, 21420102001)the National Basic Research Program of China (2014CB932004)Natural Science Foundation of Fujian Province (2016J01073)
文摘Noble metal nanomaterials have been extensively explored in cancer diagnostic and therapeutic applica- tions owing to their unique physical and chemical properties, such as facile synthesis, straightforward surface functionalization, strong photothermal effect, and excellent biocompatibility. Herein, we summa- rize the recent development of two-dimensional (2D) Pd-based nanomaterials and their applications in cancer diagnosis and therapy. Different synthetic strategies for Pd nanosheets and the related nanostruc- tures, including Pd@Au, Pd@Ag nanoplates and mesocrystalline Pd nanocomlla, are first discussed. Together with their unique properties, the potential bioapplications of these 2D Pd nanomaterials are then demonstrated. With strong absorption in near-infrared (NIR) region, these nanomaterials have great potentials in cancer photothermal therapy (PTr). They also readily act as contrast agents in photoacoustic (PA) imaging or X-ray computed tomography (CT) to achieve image-guided cancer therapy. Moreover, significant efforts have been devoted to studying the combination of PTr and other treatment modalities (e.g., chemotherapy or photodynamic therapy) based on Pd nanomaterials. The remarkable synergistic or collaborative effects to achieve better therapeutic efficacy are discussed as well. Additionally, the biosaf- ety of 2D Pd-based nanomaterials in vitro and in vivo was evaluated. Finally, challenges for the applica- tions of Pd-based nanomaterials in cancer diagnosis and therapy, and future research prospects are highlighted.
基金supported by the joint fund of the National Natural Science Foundation Committee of China Academy of Engineering Physics(U1630108)the National Natural Science Foundation of China(21373196,11434009)
文摘Recently,two dimensional transition metal dichalcogenides MX_2(M = Mo,W,etc; X = S,Se,Te) have ignited immense interests because of their unique structural and physical properties for the potential applications in the nano-optoelectronics,valley-spintronics etc. In terms of the structural compatibility and van der Waals interaction,two dimensional(2D) MX_2 layers can be fabricated into various lateral and vertical hetero-structures. The atomically-thin hetero-structures comprising different layered MX_2 provide a new platform for exploring fundamental physics and device technologies with unprecedented phenomenon and extraordinary functionalities. In this review,we report the recent progress about the fabrication,properties and applications of 2D hetero-structures based on transition metal dichalcogenides.
基金supported by the Joint Research Fund for Overseas Chinese, Hong Kong and Macao Scholars (51528201)the MOE under AcRF Tier 2 (ARC 19/15, MOE2014-T2-2-093, MOE2015-T22-057, MOE2016-T2-2-103, MOE2017-T2-1-162)+1 种基金AcRF Tier 1 (2016-T1001-147, 2016-T1-002-051, 2017-T1-001-150, 2017-T1-002-119)NTU under Start-Up Grant (M4081296.070.500000) in Singapore
文摘It is the nature of crystals to exist in different polymorphs. The recent emergence of two-dimensional(2 D) materials has evoked the discovery of a number of new crystal phases that are different from their bulk structures at ambient conditions, and revealed novel structure-dependent properties, which deserve in-depth understanding and further exploration. In this contribution, we review the recent development of crystal phase control in 2 D materials, including group V and VI. transition metal dichalcogenides(TMDs), group IVA metal chalcogenides and noble metals. For each group of materials, we begin with introducing the various existing crystal phases and their structure-related properties, followed by a detailed discussion on factors that influence these crystal structures and thus the possible strategies for phase control. Finally, after summarizing the whole paper, we present the challenges and opportunities in this research direction.
基金the National Natural Science Foundation of China(51920105002,51991340,and 51991343)Guangdong Innovative and Entrepreneurial Research Team Program(2017ZT07C341)+2 种基金the Bureau of Industry and Information Technology of Shenzhen for the“2017 Graphene Manufacturing Innovation Center Project”(201901171523)Shenzhen Basic Research Project(JCYJ20190809180605522,JCYJ20200109144620815 and JCYJ20200109144616617)China Postdoctoral Science Foundation(2020M680540)。
文摘Two-dimensional(2D)materials possess unique thickness-and lateral-size-dependent properties.Many efforts have been devoted to obtaining 2D materials with narrow structure heterogeneity while it is still challenging to independently control their thickness and lateral size,limiting their widespread applications.Here,we develop a three-step method which achieves independent thickness and lateral size sorting of 2D materials.Taking 2D h-BN flakes as an example,their thickness and lateral size are independently sorted to different fractions with thicknesses smaller than 6 nm.In addition,the 2D h-BN flakes possess narrow distributions of both thickness and lateral size.We further develop a force field extraction method and achieve scalable size sorting of 2D h-BN,which is universal for sorting other 2D materials including MoS2 and graphene oxide.This work reports an effective method to produce structure homogenous 2D materials and will help fundamental studies and applications of 2D materials where thickness and lateral size are of concern.
基金financially supported by the National Key R&D Program of China (2016YFA0203700)the National Natural Science Foundation of China (51702099, 51672303 and 51722211)+5 种基金the Program of Shanghai Academic Research Leader (18XD1404300)Young Elite Scientist Sponsorship Program by CAST (2015QNRC001)Youth Innovation Promotion Association of the Chinese Academy of Sciences (2013169)Shanghai Sailing Program (17YF1403800)China Postdoctoral Science Foundation funded project (2017M611500)the Opening Project of State Key Laboratory of High Performance Ceramics and Superfine Microstructure (SKL201702SIC)
文摘MXenes, a new family of multifunctional two dimensional(2D) solid crystals integrating high electroconductivity and rich surface chemistries, are promising candidates for electrolysis, which, however, have rarely been reported. Herein, free-standing ultrathin 2D MXene nanosheets were successfully fabricated from bulky and rigid MAX phase ceramics by liquid exfoliation with HF etching(delamination) and TPAOH intercalation(disintegration).The high oxygen reduction reaction(ORR) performance has been obtained, due to the extremely small thickness of the asfabricated Ti3C2 around 0.5–2.0 nm, equivalent to the dimensions of single-layer or double-layer Ti3C2 nanosheets in thickness. The ORR performance of the obtained Ti3C2 MXene-based catalyst exhibits desirable activity and stability in alkaline media. This study demonstrates the potential of earth-abundant 2D MXenes for constructing high-performance and cost-effective electrocatalysts.
基金supported by the National Key Basic Research Program of China(Grant No.2013CB632900)National Natural Science Foundation of China(Grant Nos.61390502&21373068)+1 种基金the Foundation for Innovative Research Groups of the National Natural Science Foundation of China(Grant No.51521003)Self-Planned Task of State Key Laboratory of Robotics and System(HIT)(Grant No.SKLRS201607B)
文摘Since silicon is limited by its physical properties,it is challenging and important to find candidate materials for high performance electronic devices.Two-dimensional(2D)semiconductor materials have attracted dramatically increasing interest due to their unique physical,
文摘In this work, thermodynamical properties of a two-dimensional (21)) Lennard-Jones (L J) fluid are studied. Here, to increase the accuracy of our theoretical calculations, the correlation functions in three-particle level (triplet) are applied. To obtain the triplet correlation functions, the Attard's source particle method is extended to 21) systems. In the Attard's procedure, the inhomogeneous Ornstein Zernike (OZ) equation is solved using the Treizenberg Zwanzwig (TZ) expression and a closure relation like the hy2ernetted-chain (HNC) approximation. In the present work, we also have performed the Monte Carlo (MC) simulation. The theoretical results are in fairly agreement with the MC simulation. Also, our results show that the approach proposed here is suitable to study the 2D LJ fluid.