第三族金属氧化物离子对二氧化碳转化的红外光谱研究

本文利用红外光解离光谱研究了第三族金属氧化物离子对二氧化碳分子的转化机制. 研究表明,对于[ScO(CO₂)_n]⁺体系,在n≤4时,形成了溶剂化结构;在n=5时,形成了碳酸盐结构,实现了二氧化碳的转化. 对于[YO(CO₂)_n]⁺体系,需要4个二氧化碳分子就可以实现二氧化碳的转化. 而在[YO(CO₂)_n]⁺体系中,只发现了溶剂化结构,没有观察到碳酸盐结构. 理论计算表明,[YO(CO₂)_n]⁺体系拥有最小的溶剂化结构向碳酸盐结构转化能垒,[LaO(CO₂)_n]⁺体系拥有最大的溶剂化结构向碳酸盐结构转化能垒. 本文从分子水平揭示了不同金属氧化物离子对二氧化碳分子转化的影响规律.     

SO_2和NO_2在γ-Al_2O_3(110)表面吸附的第一性原理计算

采用基于平面波基组的Vienna Ab-initio Simulations Package (VASP)程序研究了SO_2和NO_2在γ-Al_2O_3(110)表面和羟基化γ-Al_2O_3(110)表面的吸附,获得了SO_2和NO_2吸附的不同构型和结构参数.对吸附能,电荷转移,差分电荷密度和投影态密度等进行分析和讨论.对比发现,在γ-Al_2O_3(110)表面SO_2的吸附能力强于NO_2.SO_2或NO_2在非羟基化γ-Al_2O_3(110)表面吸附时O原子的2p轨道和Al原子的3s3p轨道作用形成O-Al键,且SO_2吸附时键结强度高于NO_2.NO_2吸附时费米能级以下有部分反键态,削弱了与γ-Al_2O_3(110)表面相互作用.在羟基化γ-Al_2O_3(110)表面SO_2或NO_2的吸附能力会低于非羟基化表面,但是SO_2的吸附能力依旧强于NO_2.计算结果说明SO_2与γ-Al_2O_3(110)表面的相互作用强于NO_2.以上研究,将有助于理解SO_2和NO_2在γ-Al_2O_3的反应性,为进一步研究它们的非均相转化和在灰霾形成中的促进作用奠定基础.     

基于改进U-Net的量子点STM图像分割

为提升量子点图像分割精度,降低特征识别误差,提出一种基于改进U-Net的量子点图像分割方法.首先,在预处理阶段,设计了以色彩通道为权值的灰度化算法,以提升后续分割效果.其次,在STM图像分割部分,在原始U-Net结构上引入中间过渡层以均衡网络各层特征.而后,建立数据集,并通过实验对比不同分割算法的精确度、召回率、F-measure.最后,将分割算法应用于量子点的特征识别,并测试了不同分割方式对应用的影响.实验结果显示,改进灰度化方法保留细节信息丰富,明显提升了量子点分割精度;改进U-Net的平均精确率、召回率、F-measure相较原始网络分别提升了13.83%、2.16%、8.13%.同时,实验数据表明由于分割精度的提升,量子点数量、纵横比等特征参数的识别更加精确.     

Chaos in fractional-order generalized Lorenz system and its synchronization circuit simulation

The chaotic behaviours of a fractional-order generalized Lorenz system and its synchronization are studied in this paper. A new electronic circuit unit to realize fractional-order operator is proposed. According to the circuit unit, an electronic circuit is designed to realize a 3.8-order generalized Lorenz chaotic system. Furthermore, synchronization between two fractional-order systems is achieved by utilizing a single-variable feedback method. Circuit experiment simulation results verify the effectiveness of the proposed scheme.     

Hollow Gaussian beams in strongly nonlocal nonlinear media

The propagation of hollow Gaussian beams in strongly nonlocal nonlinear media is studied in detail.Two analytical expressions are derived.For hollow Gaussian beams,the intensity distribution always evolves periodically.However the second-order moment beam width can keep invariant during propagation if the input power is equal to the critical power.The interaction of two hollow Gaussian beams and the vortical hollow Gaussian beams are also discussed.The vortical hollow Gaussian beams with an appropriate topological charge can keep their shapes invariant during propagation.     

Effect of Coconut Protein and Xanthan Gum,Soybean Polysaccharide and Gelatin Interactions in Oil-Water Interface

We report on our study of the interactions between coconut protein extracted from coconut meat and three hydrocolloids (gelatin, xanthan gum, and soybean polysaccharide) and their interfacial adsorption and emulsification properties. We used Zeta potential, fluorescence spectroscopy scanning and ITC to investigate the interactions between a fixed concentration (1%) of coconut protein and varying concentrations of hydrocolloid. Through the interfacial tension and interfacial viscoelasticity, the interfacial properties of the hydrocolloid and coconut protein composite solution were explored. The physical stability of the corresponding emulsion is predicted through microstructure and stability analysis. Xanthan gum forms a flocculent complex with coconut protein under acidic conditions. Soy polysaccharides specifically bind to coconut protein. Under acidic conditions, this complex is stabilized through the steric hindrance of soy polysaccharides. Due to gelatin-coconut protein interactions, the isoelectric point of this complex changes. The interfacial tension results show that as time increases, the interfacial tensions of the three composite solutions decrease. The increase in the concentration of xanthan gum makes the interfacial tension decrease first and then increase. The addition of soybean polysaccharides reduces the interfacial tension of coconut protein. The addition of xanthan gum forms a stronger elastic interface film. Emulsion characterization showed that the gelatin-added system showed better stability. However, the addition of xanthan gum caused stratification quickly, and the addition of soybean polysaccharides also led to instability because the addition of polysaccharides led to a decrease in thermodynamic compatibility. This research lays the foundation for future research into coconut milk production technology.     

Surface-anchoring zwitterionic antioxidant enables efficient,stable,and scalable all-perovskite tandem solar cells

Lead-halide perovskite photovoltaics(PVs)have achieved impressive progress in power conversion efficiencies(PCEs)over the past ten years,accelerating their step forward to next-generation commercial PV technologies[1].As a leading candidate for perovskite PVs,monolithic all-perovskite tandem solar cells(PTSCs)have achieved the best24.8%for small-area devices(0.049 cm^2)in 2019。     

空间调制型全Stokes参量偏振成像系统原理及仿真

空间调制型全Stokes参量偏振成像是针对同一目标不同偏振分量的同时探测技术,以双折射晶体作为调制元件,将Stokes参量S0~S3调制在同一幅图像中,只一次采集便可获得包含4个Stokes参量的调制信息。分析空间调制型全Stokes偏振成像系统的探测原理和数学模型。阐明重构偏振图像S0~S3的理论依据,并分析了系统参数的选择对图像重构效果的影响。根据实际系统参数,进行数值仿真模拟成像过程,获取调制图像,使用一种简单的频域解调算法,重构出S0~S3的4幅偏振图像,得到比较满意的重构效果,不仅验证了方案的可行性,同时为仪器设计或器件选型提供参考。     

改进的三维电磁PIC系统模拟并行算法

为了更好地实现对大尺度器件的模拟,以及更系统地验证和解决高功率微波系统在设计和实验中负载变化等影响,在进一步深入研究电磁PIC并行算法的基础上,运用MPI消息传递函数做出了改进。提出了一种整体建模、分段解析的并行算法,并从并行时序算法入手,通过减少一次同步提高了计算的效率。最后经过一个磁绝缘线振荡器进行验证,改进的算法正确,并且当计算进程数4个增加到16个时,计算速度能提高2.5倍左右。