The influence of the band structure of epitaxial graphene on SiC on the transistor characteristics

We fabricated high-mobility field-effect transistors based on epitaxial graphene synthesized by vacuum graphitization of both the Si- and C-faces of SiC. Room-temperature field-effect mobilities >4000 cm²/V s for both electrons and holes were achieved, although with wide distributions. By using a high-k gate dielectric, we were able to measure the transistor characteristics in a wide carrier density range, where the mobility is seen to decrease as the carrier density increases. We formulate a simple semiclassical model of electrical transport in graphene, and explain the sublinear dependence of conductivity on carrier density from the view point of the few-layer graphene energy band structure. Our analysis reveals important differences between the few-layer graphene energy dispersions on the SiC Si- and C-faces, providing the first evidence based on electrical device characteristics for the theoretically proposed energy dispersion difference between graphene synthesized on these two faces of SiC.     

Convergence of approximate deconvolution models to the mean Navier–Stokes equations

We consider a 3D Approximate Deconvolution Model ADM which belongs to the class of Large Eddy Simulation (LES) models. We aim at proving that the solution of the ADM converges towards a dissipative solution of the mean Navier–Stokes equations. The study holds for periodic boundary conditions. The convolution filter we first consider is the Helmholtz filter. We next consider generalized convolution filters for which the convergence property still holds.     

Complete NMR assignment of 3, 4‐seco‐lup‐20(29)‐en‐3‐oic acid from Decatropis bicolor

Complete ¹H and ¹³C NMR chemical shift assignments for 3,4‐seco‐lup‐20(29)‐en‐3‐oic acid ( 1 ) have been established by means of two‐dimensional COSY, HSQC, HMBC and NOESY spectroscopic experiments as well as by analysis of MS data. Compound 1 was isolated from Decatropis bicolor (Zucc.) Radlk. (Rutaceae) in addition to six coumarins and one alkaloid of known structure. Copyright © 2012 John Wiley & Sons, Ltd.     

Facile Synthesis of Ultra‐wide Two Dimensional Bi2S3 Nanosheets: Characterizations,Properties and Applications in Hydrogen Peroxide Sensing and Hydrogen Storage

The ultra‐wide two dimensional Bi₂S₃ nanosheets (2D Bi₂S₃ Ns) as non‐toxic graphene‐like nanomaterials have been prepared through solvothermal decomposition of a single‐source precursor, Bi(S₂CNEt₂)₃, in ethylenediamine media for 2 h in 180 °C. The morphology, structure, properties and catalytic activity of prepared 2D Bi₂S₃ Ns were characterized with XRD, field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), UV‐Visible spectroscopy, cyclic voltammetry (CV), amperometry, electrochemical charge/discharge technique and electrochemical impedance spectroscopy (EIS). The SEM image showed the 2D Bi₂S₃ Ns with a thickness of 15±4 nm and lengths of several micrometers is synthesized. The UV−Vis spectrum of 2D Bi₂S₃ Ns showed high sensitivity to visible‐near infrared light with its direct energy band gap of ≈1.22 eV. These Bi₂S₃ Ns showed high electron transfer ability and good electrochemical behavior and also exhibited electro‐catalytic activity toward the reduction‐oxidation of hydrogen peroxide. It is found that Bi₂S₃ Ns could detect H₂O₂ at wide linear concentration range (50.0 μM–8.0 mM) with detection limit 8 μM, using amperometry as measuring technique. Also the synthesized Bi₂S₃ Ns exhibited excellent electrochemical H₂ storage properties. As a result, based on above properties, the Bi₂S₃ Ns can be used as a valuable and useful nanomaterial for H₂ storage, high‐energy batteries, electrocatalytic fields and electrochemical sensing.     

Superconductivity enhanced by d-density wave: A weak-coupling theory

Making a revision of mistakes in Ref. [19], we present a detailed study of the competition and interplay between the d-density wave (DDW) and d-wave superconductivity (DSC) within the fluctuation-exchange (FLEX) approximation for the two-dimensional (2D) Hubbard model. In order to stabilize the DDW state with respect to phase separation at lower dopings a small nearest-neighbor Coulomb repulsion is included within the Hartree-Fock approximation. We solve the coupled gap equations for the DDW, DSC, and π-pairing as the possible order parameters, which are caused by exchange of spin fluctuations, together with calculating the spin fluctuation pairing interaction self-consistently within the FLEX approximation. We show that even when nesting of the Fermi surface is perfect, as in a square lattice with only nearest-neighbor hopping, there is coexistence of DSC and DDW in a large region of dopings close to the quantum critical point (QCP) at which the DDW state vanishes. In particular, we find that in the presence of DDW order the superconducting transition temperature T_c can be much higher compared to pure superconductivity, since the pairing interaction is strongly enhanced due to the feedback effect on spin fluctuations of the DDW gap. π-pairing appears generically in the coexistence region, but its feedback on the other order parameters is very small. In the present work, we have developed a weak-coupling theory of the competition between DDW and DSC in 2D Hubbard model, using the static spin fluctuation obtained within FLEX approximation and ignoring the self-energy effect of spin fluctuations. For our model calculations in the weak-coupling limit we have taken U/t=3.4, since the antiferromagnetic instability occurs for higher values of U/t.     

Zn or O? An Atomic Level Comparison on Antibacterial Activities of Zinc Oxides

For the first time, the influence of different types of atoms (Zn and O) on the antibacterial activities of nanosized ZnO was quantitatively evaluated with the aid of a 3D‐printing‐manufactured evaluation system. Two different outermost atomic layers were manufactured separately by using an ALD (atomic layer deposition) method. Interestingly, we found that each outermost atomic layer exhibited certain differences against gram‐positive or gram‐negative bacterial species. Zinc atoms as outermost layer (ZnO?Zn) showed a more pronounced antibacterial effect towards gram‐negative E. coli (Escherichia coli), whereas oxygen atoms (ZnO?O) showed a stronger antibacterial activity against gram‐positive S. aureus (Staphylococcus aureus). A possible antibacterial mechanism has been comprehensively discussed from different perspectives, including Zn²⁺ concentrations, oxygen vacancies, photocatalytic activities and the DNA structural characteristics of different bacterial species.     

1H and 13C NMR Determination of the Enantiomeric Purity of Substituted 4-Amino-3- (thien-2-Yl)-Butyric Acids and 4-Amino-3-(Benzo[b]Furan-2-yl)-Butyric Acids,Ligands of the GabaB Receptor.

The enantiomeric composition and absolute configuration of 4-Amino-3-(benzo[b]furan-2-yl)-Butanoic Acids and of 4-Amino-3-(thien-2-yl)-Butanoic Acids 1 may be accurately determined by ¹H and ¹³C nuclear magnetic resonance analysis of the corresponding derivatives 3 prepared by reaction with chiral reagents. Correlation with HPLC is signaled.     

Time domain topology optimization of 3D nanophotonic devices

We present an efficient parallel topology optimization framework for design of large scale 3D nanophotonic devices. The code shows excellent scalability and is demonstrated for optimization of broadband frequency splitter, waveguide intersection, photonic crystal-based waveguide and nanowire-based waveguide. The obtained results are compared to simplified 2D studies and we demonstrate that 3D topology optimization may lead to significant performance improvements.     

The Versatile Electronic,Magnetic and Photo-Electro Catalytic Activity of a New 2D MA2Z4 Family**

The recent successful growth of MoSi₂N₄ and WSi₂N₄ monolayers led to the discovery of a new class of the two-dimensional (2D) MA₂Z₄ materials with no known 3D layered allotropes, which renders great possibilities to integrate diverse properties by proper design of sandwiched “MZ₂” building blocks and “A−Z” passivation layers. In this work, the dynamic stability, electronic properties, and surface reactivity of the new MA₂Z₄ family, in which M is Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W, A refers to Si or Ge, and Z is N, P or As, is theoretically probed. Among the proposed 54 possible combinations, about 42 compositions are dynamically stable, which vary from non-magnetic, anti-ferromagnetic, to ferromagnetic semiconductors, metals and half-metals. In particular, the VB (V, Nb, Ta) MA₂Z₄ possesses robust intrinsic ferromagnetism that is essential for spintronics applications. In regard to surface activity, most MA₂Z₄, particularly N- or P-terminated IVB and VB MA₂Z₄, have high catalytic potential for hydrogen evolution, and the ▵G_H of non-magnetic MA₂Z₄ is highly correlated to the highest occupied p electronic states of the surface Z atoms. The photocatalytic activity is also evaluated. MoSi₂N₄ and WSi₂N₄ within 4 % tensile strain are capable of photocatalytic overall water splitting. The findings indicate the new 2D MA₂Z₄ family has fascinating properties and possesses strong potential for applications but not limited to electronics, spintronics and catalysts, which will stimulate the interests of experimental synthesis.