Tunable electronic and optical properties of SnC/BAs heterostructure by external electric field and vertical strain

Based on the first-principles method, we investigate the electronic structure of SnC/BAs van der Waals (vdW) heterostructure and find that it has an intrinsic type-II band alignment with a direct band gap of 0.22 eV, which favors the separation of photogenerated electron–hole pairs. The band gap can be effectively modulated by applying vertical strain and external electric field, displaying a large alteration of band gap via the strain and experiencing an indirect-to-direct band gap transition. Moreover, the band gap of the heterostructure varies almost linearly with external electric field, and the semiconductor-to-metal transition can be realized in the presence of a strong electric field. The calculated band alignment and the optical absorption reveal that the SnC/BAs heterostructure could present an excellent light-harvesting performance. Our designed heterostructure is expected to have great potential applications in nanoelectronic devices and photovoltaics and optical properties.     

Calculation of the valence shell correlation effects on ionization potentials. A test on N2, C2N2 and H2NN

Two schemes for the definition of the valence space from an extended basis are proposed and tested for the calculation of ionic states in N₂, C₂N₂ and H₂NN. Good results are obtained with a projection scheme, leading to a 2h-1v model reproducing the essential features of the full basis 2h-1p results. Notably excellent agreement with experiment is obtained for the main ionization potentials in N₂ and C₂N₂. Unsatisfactory results are instead given by a simple extension of the minimal basis set SCF space, indicating the importance of employing accurate occupied orbitals as a starting point.     

Metal-free synthesis of 1,2,3-benzotriazines

The recent molecular iodine catalyzed [1,2]-rearrangement of aryl amines and 3-amino-1H-indazolesfor the synthesis of 1,2,3-benzotriazines is highlighted.     

Uniqueness of mild solutions of the Navier-Stokes equation and maximal Lp-regularity

In this Note, we give a new proof of the uniqueness of mild solutions of the Navier-Stokes equation in C([0,T) ; (L³(ℝ³))³). The main tool of the proof is the maximal L^p-regularity of the Laplacian in (L³ (ℝ³))³.     

Adsorption of 4-aminopyridine on Co and Ag electrodes probed by SERS

The adsorption of 4-aminopyridine (4-AP) on Co and Ag electrodes in acid or alkaline solutions of KCl and KI electrolyte salts were monitored by the Surface-enhanced Raman Spectroscopy (SERS) technique. The SERS intensity for the Ag electrode was in 2 orders of magnitude higher than for the Co electrode, due to the enhancement of the Raman cross-section on Ag by the surface-plasmon excitation. In acidic chloride medium (pH 4), the SERS results for Ag electrodes indicate that the protonated form of 4-AP (4-APH⁺) adsorbs in the potential range of −0.1 to −0.6 V (Ag|AgCl|KCl sat) through hydrogen-bonding between 4-APH⁺ and Cl⁻ adsorbed on the electrode surface; at more negative potentials the neutral form 4-AP is the predominant adsorbed species. For Co electrode in the same medium, only bands due to neutral 4-AP were observed in the spectra at −0.8 and −0.9 V. For more negative potentials bands assigned to both 4-AP and 4-AP surface complex are observed, with the lasts being enhanced, as the potentials are turned more negative. In alkaline chloride medium (pH 13), for less negative potentials the bands assigned to free 4-AP were observed in the spectra of both Ag and Co surfaces. For more negative potentials, only bands assigned to the 4-AP surface complex were observed. For 0.1 mol L⁻¹ KI acidic or alkaline solutions, bands assigned to 4-AP and 4-APH⁺ were observed in a wider potential range than in chloride solutions. An adsorption scheme of 4-AP on Ag and Co is proposed for acidic and alkaline solutions.     

FRP筋粘结式锚具的界面径向弹性模量分析

建立了FRP(Fibre Reinforced Polymer)筋粘结式锚具粘结界面的Rib-scale模型和Bar-scale模型,然后利用Fourier-Bessel级数推导了FRP筋、混凝土以及钢套筒等在径向应力作用下的解析解.解析解与数值解吻合较好,验证了用Fourier-Bessel级数表达的解析解的有效性....     

Probabilities of incidence between lines and a plane curve over finite fields

We study the probability for a random line to intersect a given plane curve, over a finite field, in a given number of points over the same field. In particular, we focus on the limits of these probabilities under successive finite field extensions. Supposing absolute irreducibility for the curve, we show how a variant of the Chebotarev density theorem for function fields can be used to prove the existence of these limits, and to compute them under a mildly stronger condition, known as simple tangency. Partial results have already appeared in the literature, and we propose this work as an introduction to the use of the Chebotarev theorem in the context of incidence geometry. Finally, Veronese maps allow us to compute similar probabilities of intersection between a given curve and random curves of given degree.     

The geometrically nonlinear dynamic responses of simply supported beams under moving loads

This paper presents a method for determining the nonlinear dynamic responses of structures under moving loads. The load is considered as a four degrees-of-freedom system with linear suspensions and tires flexibility, and the structure is modeled as an Euler–Bernoulli beam with simply supported at both ends. The nonlinear dynamic interaction of the load–structure system is discussed, and Kelvin−Voigt material model is employed for the beam. The nonlinear partial differential equations of the dynamic interaction are derived by using the von Kármán nonlinear theory and D'Alembert's principle. Based on the Galerkin method, the partial differential equations of the system are transformed into nonlinear ordinary equations, which can be solved by using the Newmark method and Newton−Raphson iteration method. To validate the approach proposed in this paper, the comparison are performed using a moving mass and a moving oscillator as the excitation sources, and the investigations demonstrate good reliability.