质子核磁共振谱的偶极魔角旋转边带强度的矩的展开

对于包含分子和分子基团绕至少一个轴高速运动的固体体系,本文推导出其质子核磁共振谱的偶极魔角旋转边带强度的理论计算表达式,建立了用其静态粉末谱的矩的展开的计算方法,计算出旋转边带强度按三十阶矩展开的系数,它可以处理包含高达十五阶边带的谱     

LiNO3-Based Electrolytes via Electron-Donation Modulation for Sustainable Nonaqueous Lithium Rechargeable Batteries

LiPF₆ as a dominant lithium salt of electrolyte is widely used in commercial rechargeable lithium-ion batteries due to its well-balanced properties, including high solubility in organic solvents, good electrochemical stability, and high ionic conductivity. However, it suffers from several undesirable properties, such as high moisture sensitivity, thermal instability, and high cost. To address these issues, herein, we propose an electron-donation modulation (EDM) rule for the development of low-cost, sustainable, and electrochemically compatible LiNO₃-based electrolytes. We employ high donor-number solvents (HDNSs) with strong electron-donation ability to dissolve LiNO₃, while low donor-number solvents (LDNSs) with weak electron-donation ability are used to regulate the solvation structure to stabilize the electrolytes. As an example, we design the LiNO₃-DMSO@PC electrolyte, where DMSO acts as an HDNS and PC serves as an LDNS. This electrolyte exhibits excellent electrochemical compatibility with graphite anodes, as well as the LiFePO₄ and LiCoO₂ cathodes, leading to stable cycling over 200 cycles. Through spectroscopy analyses and theoretical calculation, we uncover the underlying mechanism responsible for the stabilization of these electrolytes. Our findings provide valuable insights into the preparation of LiNO₃-based electrolytes using the EDM rule, opening new avenues for the development of advanced electrolytes with versatile functions for sustainable rechargeable batteries.     

Graph theory of viscoelastic and configurational properties of Gaussian chains

The spring-and-bead model proposed by Rouse and Zimm can theoretically treat the viscoelastic behaviour of polymers. In this paper, we first point out that the Rouse and Zimm matrices in the molecular theory of polymer viscoelasticities are equivalent to the adjacency matrix and admittance (or Kirchhoff) matrix in graph theory, respectively. In order to solve the eigen-value problems of Rouse and Zimm matrices, the matrices are first represented by their corresponding eigen-graphs, which reflect the topological structure of the real chain. Starting from the eigen-graph, instead of tedious mathematics, the eigen-value problems are solved by a series of simple graphic operations, such as cutting-off the bonds, removing the closed pathways, etc. The eigen-polynomial of Rouse and Zimm matrices and the viscoelastic properties of the chain are obtained by using the theorems given in this paper. It is also shown that the eigen-polynomial of the chain can be greatly reduced if the chain graph has elements of symmetry. As the Rouse theory of viscoelasticity is closely related to the conformational statistics of Gaussian chains, it is demonstrated that the graph-theoretic approach developed here can also be applied to solve the configurational properties of Gaussian chains, such as the distribution function of the radius of gyration and its moments, the shape of a Gaussian chain, etc. We have also demonstrated that the graph-theoretic approach developed here is also applicable to copolymeric chains.     

Elimination of environmental noise in interferometric wavelength shift demodulation for dynamic fiber Bragg grating sensor array

We present a novel reference compensation method for eliminating environmental noise in interferometric wavelength shift demodulation for dynamic fiber Bragg grating (FBG) sensors. By employing a shielded wavelength-division-multiplexed reference FBG in the system, the environmental noise is measured from the reference channel, and then subtracted from the demodulation result of each sensor channel. An approximate 40 dB reduction of the environmental noise has been experimentally achieved over a frequency range from 20 Hz to 2 kHz. This method is also suitable for the elimination of broadband environmental noise. The corresponding FBG sensor array system proposed in this paper has shown a wavelength resolution of .     

改进的节块展开方法求解圆柱几何对流扩散方程

为高效求解球床高温气冷堆物理-热工耦合问题,发展改进节块展开法求解圆柱几何下的对流扩散方程.针对圆柱几何和对流扩散方程的特殊性,采用三阶多项式和指数函数作为r向横向积分方程的展开函数,在节块展开法的框架下高效求解对流扩散方程.数值验证表明,改进的节块展开方法具有固有的迎风特性,在使用粗网节块时依然能保持稳定性和较高的计算精度.     

Construction of graphdiyne nanowires with high-conductivity and mobility

GDNWs (graphdiyne nanowires) have successfully been constructed which exhibit a very high quality defect-free surface using the VLS growth process. Measurement of electrical properties showed that the GDNWs produced are excellent semiconductors with a conductivity of 1.9 × 10(3) S m(-1) and a mobility of 7.1 × 10(2) cm(2) V(-1) s(-1) at room temperature. The results have confirmed that GDNW is indeed a promising and key novel material in electronic and photoelectric fields for both fundamental and potentially practical applications.     

Synthesis and Self‐Assembly of Dihydroxyperylene Bisimides for the Tuning of Photophysical Properties

The synthesis of 1,10‐dihydroxyperylene bisimides by nucleophilic substitution of brominated perylene bisimide is described. 1,10‐Dihydroxyperylene bisimides formed J aggregates in nonpolar solvents and showed a clearly redshifted absorption band. The solvent polarity also influenced the hydrogen bond with the hydroxyl group, and thus, the photophysical properties of perylene bisimide. The photophysical properties of these dihydroxyperylene perylene bisimides can also be tuned by changing charge transfer from the hydroxyl groups to the perylene core through the introduction of metal ions.