Catálogo de publicaciones - revistas

<jats:p>Understanding the mechanism of the interfacial reaction between the cathode material and the electrolyte is a significant work because the interfacial reaction is an important factor affecting the stability, capacity, and cycling performance of Li-ion batteries. In this work, spin-polarized density functional theory calculations with on-site Coulomb energy have been employed to study the adsorption of electrolyte components propylene carbonate (PC) on the LiMn<jats:sub>2</jats:sub>O<jats:sub>4</jats:sub> (100) surface. The findings show that the PC molecule prefers to interact with the Mn atom on the LiMn<jats:sub>2</jats:sub>O<jats:sub>4</jats:sub> (100) surface via the carbonyl oxygen (O<jats:sub>c</jats:sub>), with the adsorption energy of −1.16 eV, which is an exothermic reaction. As the adsorption of organic molecule PC increases the Mn atoms coordination with O atoms on the (100) surface, the Mn<jats:sup>3 +</jats:sup> ions on the surface lose charge and the reactivity is substantially decreased, which improves the stability of the surface and benefits the cycling performance.</jats:p>

<jats:p>Despite the advanced efficiency of perovskite solar cells (PSCs), electron transportation is still a pending issue. Here the polymer polyvinylpyrrolidone (PVP) is used to enhance the electron injection, which is thanks to the passivation of the defects at the interface between the ZnO electron transporting layer (ETL) and the perovskite. The application of the PVP layer inhibits the device degradation, and 80% of the primary efficiency is kept after 30 d storage in air condition. Additionally, the efficiency of the device is further enhanced by improving the conductivity and crystallinity of the ZnO ETL via Magnesium (Mg) doping in the ZnO nanorods (ZnO NRs). Moreover, the preparation parameters of the ZnO NRs are optimized. By employing the high-crystallinity ZnO ETL and the PVP layer, the power conversion efficiency (PCE) of the champion device is increased from 16.29% to 19.63%. These results demonstrate the advantages of combining mesoscale manipulation with interface modification and doping together.</jats:p>

<jats:p>We mainly investigate the rational solutions and <jats:italic>N</jats:italic>-wave resonance solutions for the (3+1)-dimensional Kudryashov–Sinelshchikov equation, which could be used to describe the liquid containing gas bubbles. With appropriate transformations, two kinds of bilinear forms are derived. Employing the two bilinear equations, dynamical behaviors of nine district solutions for this equation are discussed in detail, including bright rogue wave-type solution, dark rogue wave-type solution, bright W-shaped solution, dark W-shaped rational solution, generalized rational solution and bright-fusion, dark-fusion, bright-fission, and dark-fission resonance solutions. In addition, the generalized rational solutions, which depending on two arbitrary parameters, have an interesting structure: splitting from two peaks into three peaks.</jats:p>

<jats:p>Imaging quality is a critical component of compressive imaging in real applications. In this study, we propose a compressive imaging method based on multi-scale modulation and reconstruction in the spatial frequency domain. Theoretical analysis and simulation show the relation between the measurement matrix resolution and compressive sensing (CS) imaging quality. The matrix design is improved to provide multi-scale modulations, followed by individual reconstruction of images of different spatial frequencies. Compared with traditional single-scale CS imaging, the multi-scale method provides high quality imaging in both high and low frequencies, and effectively decreases the overall reconstruction error. Experimental results confirm the feasibility of this technique, especially at low sampling rate. The method may thus be helpful in promoting the implementation of compressive imaging in real applications.</jats:p>

<jats:p>Ionic wind induced by direct-current corona discharge has attracted considerable interest because of its low energy consumption, low noise emission, flexible designs, and lack of moving parts. The purpose of this study is to investigate the configuration parameters to improve the velocity of the ionic wind. Accordingly, this study develops a three-dimensional (3D) model of circular tube with multi-needle-to-mesh electrode configurations, in this model, the influences of various parameters were explored such as the mesh gap, the distribution of needle electrodes, the number of needle electrodes, and the radius of the circular channel. The numerical research results showed that the mesh gap, the distribution of needle electrodes, and the radius of the circular tube significantly affected the velocity of the ionic wind. When mesh gap is 12 mm, which indicates that there is an optimal mesh gap which can enhance the velocity of the ionic wind. What is more, changing the distribution of needle electrodes and increasing the number of needle electrodes can effectively improve the velocity of the ionic wind, the optimum distribution <jats:italic>α</jats:italic> of needle electrodes is 0.7–0.9, which greatly increase the velocity of the ionic wind. However, for multi-needle-to-mesh structure, the improvement of the radius of the circular channel is conducive to enhance the velocity and improve the velocity distribution.</jats:p>

<jats:p>G-quadruplexes (GQs) are guanine-rich, non-canonical nucleic acid structures that play fundamental roles in biological processes. The topology of GQs is associated with the sequences and lengths of DNA, the types of linking loops, and the associated metal cations. However, our understanding on the basic physical properties of the formation process and the stability of GQs is rather limited. In this work, we employed <jats:italic>ab initio</jats:italic>, molecular dynamics (MD), and steered MD (SMD) simulations to study the interaction between loop bases and ions, and the effect on the stability of G-quadruplex DNA, the Drude oscillator model was used in MD and SMD simulations as a computationally efficient manner method for modeling electronic polarization in DNA ion solutions. We observed that the binding energy between DNA bases and ions (K<jats:sup>+</jats:sup>/Na<jats:sup>+</jats:sup>) is about the base stacking free energies indicates that there will be a competition among the binding of M<jats:sup>+</jats:sup>-base, H-bonds between bases, and the base-stacking while ions were bound in loop of GQs. Our SMD simulations indicated that the side loop inclined to form the base stacking while the loop sequence was Thy or Ade, and the cross-link loop upon the G-tetrads was not easy to form the base stacking. The base stacking side loop complex K<jats:sup>+</jats:sup> was found to have a good stabilization synergy. Although a stronger interaction was observed to exist between Cyt and K<jats:sup>+</jats:sup>, such an interaction was unable to promote the stability of the loop with the sequence Cyt.</jats:p>

<jats:p>China has the largest high-speed railway (HSR) system in the world, and it has gradually reshaped the urban network. The HSR system can be represented as different types of networks in terms of the nodes and various relationships (<jats:italic>i.e.</jats:italic>, linkages) between them. In this paper, we first introduce a general dual network model, including a physical network (PN) and a logical network (LN) to provide a comparative analysis for China’s high-speed rail network via complex network theory. The PN represents a layout of stations and rail tracks, and forms the basis for operating all trains. The LN is a network composed of the origin and destination stations of each high-speed train and the train flows between them. China’s high-speed railway (CHSR) has different topological structures and link strengths for PN in comparison with the LN. In the study, the community detection is used to analyze China’s high-speed rail networks and several communities are found to be similar to the layout of planned urban agglomerations in China. Furthermore, the hierarchies of urban agglomerations are different from each other according to the strength of inter-regional interaction and intra-regional interaction, which are respectively related to location and spatial development strategies. Moreover, a case study of the Yangtze River Delta shows that the hub stations have different resource divisions and are major contributors to the gap between train departure and arrival flows.</jats:p>

<jats:p>We establish entanglement monotones in terms of an operational approach, which is closely connected with the state conversion from pure states to the objective state by the local operations and classical communications. It is shown that any good entanglement quantifier defined on pure states can induce an entanglement monotone for all density matrices. Particularly, we show that our entanglement monotone is the maximal one among all those having the same form for pure states. In some special cases, our proposed entanglement monotones turn to be equivalent to the convex roof construction, which hence gain an operational meaning. Some examples are given to demonstrate different cases.</jats:p>

<jats:p>The laser beam divergence angle is one of the important parameters to evaluate the quality of the laser beam. It can not only accurately indicate the nature of the beam divergence when the laser beam is transmitted over a long distance, but also objectively evaluate the performance of the laser system. At present, lidar has received a lot of attention as a core component of environment awareness technology. Micro-electromechanical system (MEMS) micromirror has become the first choice for three-dimensional imaging lidar because of its small size and fast scanning speed. However, due to the small size of the MEMS micromirror, the lidar scanning system has a small field of view (FOV). In order to achieve a wide range of scanning imaging, collimating optical system and wide-angle optical system are generally added to the system. However, due to the inherent properties of the optical lens, it is impossible to perfect the imaging, so the effects of collimating and expanding the beam will be different at different angles. This article aims to propose a measurement system that dynamically measures the divergence angles of MEMS scanning lidar beams in different fields of view to objectively evaluate the performances of scanning lidar systems.</jats:p>

<jats:p>With technology computer-aided design (TCAD) simulation software, we design a new structure of gallium oxide on gallium–nitride Schottky barrier diode (SBD). The parameters of gallium oxide are defined as new material parameters in the material library, and the SBD turn-on and breakdown behavior are simulated. The simulation results reveal that this new structure has a larger turn-on current than Ga<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> SBD and a larger breakdown voltage than GaN SBD. Also, to solve the lattice mismatch problem in the real epitaxy, we add a ZnO layer as a transition layer. The simulations show that the device still has good properties after adding this layer.</jats:p>