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41.
基于密度泛函理论的第一性原理计算方法,本文研究了高压对β-InSe弹性常数、机械性能和电子结构的影响.在0~20 GPa范围内,随着压力的增大,β-InSe的晶格常数、晶胞体积逐渐减小,结构参数a/a_0、c/c_0、V/V_0单调减小.在0~12 GPa范围内,弹性模量G、E、B和泊松比v随着压力增大而增大,在16 GPa时大幅减小,G、E、B分别减小了34.9%、53.3%、82.9%.随着压力增大,Se-In和In-In原子之间的电荷密度增大,Se-In原子之间的共价键增强,层间距减小.而且,β-InSe在20 GPa时带隙消失,发生了半导体向半金属的相变. 相似文献
42.
We demonstrate a harmonically pumped femtosecond optical parametric oscillator(OPO)laser using a frequency-doubled mode-locked Yb:KGW laser at a repetition rate of 75.5 MHz as the pump laser.Based on a bismuth borate nonlinear crystal,repetition rates up to 1.13 GHz are realized,which is 15 times that of the pump laser.The signal wavelength is tunable from 700 nm to 887 nm.The maximum power of the signal is 207 m W at the central wavelength of 750 nm and the shortest pulse duration is 117 fs at 780 nm.The beam quality(M^2 factor)in the horizontal and vertical directions of the output beam are 1.077 and 1.141,respectively. 相似文献
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Chao Liu Liying Wang Lin Yang Famei Wang Chunhong Xu Jingwei Lv Guanglai Fu Xianli Li Qiang Liu Haiwei Mu Tao Sun Paul K. Chu 《Physics letters. A》2019,383(25):3200-3206
A single-polarization filter comprising a gold-coated photonic crystal fiber based on surface plasmon resonance is designed and investigated. The pattern matching and coupled polarization characteristics analyzed by the full-vector finite element method (FEM) and losses at 1,540 nm are achieved to 1,016.01739 dB/cm (x-pol core mode) and 33.81917 dB/cm (y-pol core mode). The crosstalk (CT) value of the 1,540 nm band is ?853.12653 dB for fiber length and the bandwidth is 850 nm. The working wavelength of the filter ranges from 1,280 nm to 1,540 nm by varying the diameter of outer air holes (), the diameter of inner air holes (), the metal film thickness (t), as well as the liquid refractive index (n). 相似文献
45.
Dekun Wu Dr. Qing Xu Dr. Jing Qian Prof. Xiaopeng Li Prof. Yuhan Sun 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(12):3105-3111
Covalent organic frameworks (COFs) are a new class of crystalline porous polymers comprised mainly of carbon atoms, and are versatile for the integration of heteroatoms such as B, O, and N into the skeletons. The designable structure and abundant composition render COFs useful as precursors for heteroatom-doped porous carbons for energy storage and conversion. Herein, we describe a multifunctional electrochemical catalyst obtained through pyrolysis of a bimetallic COF. The catalyst possesses hierarchical pores and abundant iron and cobalt nanoparticles embedded with standing carbon layers. By integrating these features, the catalyst exhibits excellent electrochemical catalytic activity in the oxygen reduction reaction (ORR), with a 50 mV positive half-wave potential, a higher limited diffusion current density, and a much smaller Tafel slope than a Pt-C catalyst. Moreover, the catalyst displays superior electrochemical performance toward the hydrogen evolution reaction (HER), with overpotentials of −0.26 V and −0.33 V in acidic and alkaline aqueous solution, respectively, at a current density of 10 mA cm−2. The overpotential in the catalysis of the oxygen evolution reaction (OER) was 1.59 V at the same current density. 相似文献
46.
Sha Xia Dan Wang Nian-Ke Chen Dong Han Xian-Bin Li Hong-Bo Sun 《Annalen der Physik》2020,532(3):1900318
Defects play a central role in controlling the electronic properties of two-dimensional (2D) materials and realizing the industrialization of 2D electronics. However, the evaluation of charged defects in 2D materials within first-principles calculation is very challenging and has triggered a recent development of the WLZ (Wang, Li, Zhang) extrapolation method. This method lays the foundation of the theoretical evaluation of energies of charged defects in 2D materials within the first-principles framework. Herein, the vital role of defects for advancing 2D electronics is discussed, followed by an introduction of the fundamentals of the WLZ extrapolation method. The ionization energies (IEs) obtained by this method for defects in various 2D semiconductors are then reviewed and summarized. Finally, the unique defect physics in 2D dimensions including the dielectric environment effects, defect ionization process, and carrier transport mechanism captured with the WLZ extrapolation method are presented. As an efficient and reasonable evaluation of charged defects in 2D materials for nanoelectronics and other emerging applications, this work can be of benefit to the community. 相似文献
47.
In recent years, spatial self-phase modulation (SSPM) with two-dimensional (2D) materials has attracted the attention of many researchers as an emerging and ubiquitous nonlinear optical effect. In this review, the state of the art of 2D material-based SSPM is summarized. SSPM measures or tunes the nonlinearity of 2D materials, and it is also an effective approach to study the band structure of 2D materials. Several modified forms of SSPM, such as high-order, white-light-excited, vector field excited, and optically nonlinearly enhanced SSPM are also presented. Subsequently, the physical origin of the SSPM formation mechanism is compared and analyzed. Furthermore, the applications of SSPM with 2D materials, including passive photonic devices, generation of Bessel beams, and identifying the mode of the orbital angular momentum, are listed. Finally, several urgent problems of the SSPM with 2D materials, potential applications, and prospects for future development are presented. 相似文献
48.
Metabolic profiles of dioscin in rats revealed by ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry 下载免费PDF全文
He Zhu Jin‐Di Xu Qian Mao Hong Shen Ming Kong Jian‐Ping Chen Song‐Lin Li 《Biomedical chromatography : BMC》2015,29(9):1415-1421
Dioscin (DIS), one of the most abundant bioactive steroidal saponins in Dioscorea sp., is used as a complementary medicine to treat coronary disease and angina pectoris in China. Although the pharmacological activities and pharmacokinetics of DIS have been well demonstrated, information regarding the final metabolic fates is very limited. This study investigated the in vivo metabolic profiles of DIS after oral administration by ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry method. The structures of the metabolites were identified and tentatively characterized by means of comparing the molecular mass, retention time and fragmentation pattern of the analytes with those of the parent compound. A total of eight metabolites, including seven phase I and one phase II metabolites, were detected and tentatively identified for the first time. Oxidation, deglycosylation and glucuronidation were found to be the major metabolic processes of the compound in rats. In addition, a possible metabolic pathway on the biotransformation of DIS in vivo was proposed. This study provides valuable and new information on the metabolism of DIS, which will be helpful for further understanding its mechanism of action. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
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Nonlinear Dynamics - This paper seeks to address the problem of finite-time stabilization for a class of uncertain Hamiltonian systems via sliding mode control approach. A novel sliding function in... 相似文献