单层MXene纳米片Ti2N电磁特性的过渡金属(Sc、V、Zr)掺杂效应

二维材料MXene纳米片由于具有较大的比表面积和较高的电子迁移率而受到广泛的关注。本文采用基于密度泛函理论的第一性原理计算,对单层MXene纳米片Ti₂N电磁特性的过渡金属(Sc、V、Zr)掺杂效应进行了系统研究。结果表明,所有过渡金属掺杂体系结合能均为负值,结构均稳定;其中Ti₂N-Sc体系的形成能为-2.242 eV,结构更易形成,且保持稳定;掺杂后Ti₂N-Sc、Ti₂N-Zr体系磁矩增大;此外,Ti₂N-Sc体系中保留了较高的自旋极化率,达到84.9%,可预测该体系在自旋电子学中具有潜在的应用价值。     

Finding any given 2‐factor in sparse pseudorandom graphs efficiently

Given an $n$‐vertex pseudorandom graph $G$ and an $n$‐vertex graph $H$ with maximum degree at most two, we wish to find a copy of $H$ in $G$, that is, an embedding $\phi :V\left(H\right)\to V\left(G\right)$ so that $\phi \left(u\right)\phi \left(v\right)\in E\left(G\right)$ for all $uv\in E\left(H\right)$. Particular instances of this problem include finding a triangle‐factor and finding a Hamilton cycle in $G$. Here, we provide a deterministic polynomial time algorithm that finds a given $H$ in any suitably pseudorandom graph $G$. The pseudorandom graphs we consider are $\left(p,\lambda \right)$‐bijumbled graphs of minimum degree which is a constant proportion of the average degree, that is, $\mathrm{\Omega }\left(pn\right)$. A $\left(p,\lambda \right)$‐bijumbled graph is characterised through the discrepancy property: $|e\left(A,B\right)?p|A||B||<\lambda \sqrt{|A||B|}$ for any two sets of vertices $A$ and $B$. Our condition $\lambda =O(p^{2}n/\log n)$ on bijumbledness is within a log factor from being tight and provides a positive answer to a recent question of Nenadov. We combine novel variants of the absorption‐reservoir method, a powerful tool from extremal graph theory and random graphs. Our approach builds on our previous work, incorporating the work of Nenadov, together with additional ideas and simplifications.     

Effect of thickness variations of lithium niobate on insulator waveguide on the frequency spectrum of spontaneous parametric down-conversion

We study the effect of waveguide thickness variations on the frequency spectrum of spontaneous parametric down-conversion in the periodically-poled lithium niobate on insulator (LNOI) waveguide. We analyze several variation models and our simulation results show that thickness variations in several nanometers can induce distinct effects on the central peak of the spectrum, such as narrowing, broadening, and splitting. We also prove that the effects of positive and negative variations can be canceled and thus lead to a variation-robust feature and an ultra-broad bandwidth. Our study may promote the development of on-chip photon sources in the LNOI platform, as well as opens up a way to engineer photon frequency state.     

双激光脉冲打靶形成Gd等离子体的极紫外光谱辐射

高端芯片制造所需要的极紫外光刻技术位于我国当前面临35项"卡脖子"关键核心技术之首.高转换效率的极紫外光源是极紫外光刻系统的重要组成部分.本文通过采用双激光脉冲打靶技术实现较强的6.7 nm极紫外光输出.首先,理论计算Gd¹⁸⁺—Gd²⁷⁺离子最外层4d壳层的4p-4d和4d-4f能级之间跃迁、以及Gd¹⁴⁺—Gd¹⁷⁺离子最外层4f壳层的4d-4f能级之间跃迁对波长为6.7 nm附近极紫外光的贡献.其后开展实验研究,结果表明,随着双脉冲之间延时的逐渐增加,波长为6.7 nm附近的极紫外光辐射强度呈现先减弱、后增加、之后再减弱的变化趋势,在双脉冲延时为100 ns处产生的极紫外光辐射最强.并且,在延时为100 ns处产生的光谱效率最高,相比于单脉冲激光产生的光谱效率提升了33%.此外,发现双激光脉冲打靶技术可以有效地减弱等离子体的自吸收效应,获得的6.7 nm附近极紫外光谱宽度均小于单激光脉冲打靶的情形,且在脉冲延时为30 ns时刻所产生的光谱宽度最窄,约为单独主脉冲产生极紫外光谱宽度的1/3.同时...     

Sentinel-2卫星的多光谱轻量级船舶目标检测算法

近年来深度卷积神经网络在可见光船舶检测方面取得了显著的进展，然而，大多数相关研究是通过改进大型的网络结构来提高检测性能，因此加大了对更高计算机性能的需求。此外，可见光图像难以在云、雾、海杂波、黑夜等复杂场景检测到船舶。针对以上问题，提出了一种融合红（red, R）、绿（green, G）、蓝（blue, B）和近红外（NIR）4个波段光谱信息的由粗到精细的轻量型船舶检测算法。与现有的方法中根据光谱特性利用水体检测算法提取水体区域不同之处是该算法是利用改进的水体检测算法来提取船舶候选区域。为获取更准确的候选区域，对船舶、厚云、薄云、平静海面、杂波海面5种场景中4个波段的像素值进行了统计分析，选取近红外大于阈值作为辅助判断，并以其中心点获取候选区域32×32大小的切片，并对切片进行非极大值抑制，由此获得了船舶粗检测结果。随后构建了轻量级LSGFNet网络对船舶候选区域切片进行精细识别。构建的网络融合了1×1卷积提取的波谱特征与3×3的提取几何特征，为防止光谱特征与几何特征的信息在融合时“信息不流通”，在LSGFNet网络中引入了ShuffleNet中的通道打乱机制，并减小了模型结构，与典型的轻量级网络相比具有更好的效果且模型较小。最后，利用Sentinel-2卫星多光谱10 m分辨率数据构建了512×512大小的1 120组数据进行粗检测，以及32×32大小的6 014组数据进行精细网络训练，其中候选区域粗提取的查全率为98.99%，精细识别网络精确度为96.04%，不同场景下的平均精确度为92.98%。实验表明该算法在抑制云层、海浪杂波等干扰的复杂背景下具有较高的检测效率，且训练时间短、计算机性能需求低。     

Highly sensitive perylene tetra-(alkoxycarbonyl) based colorimetric and ratiometric probes for fluorine detection

Fluoride anion (F^?) affects environmental, biological, and chemical processes significantly. Therefore, its detection has received increasing attention, and sensitive, effective, and convenient probes for F^? detection need to be developed urgently. In this work, two perylene tetra-(alkoxycarbonyl) (PTAC) based colorimetric and ratiometric probes, P1 and P2, were developed for the detection of F^?. The interactions between F^? and these two probes were investigated by absorption, electrochemistry, ¹H NMR, and density functional methods. Both the two probes were complexed with F^? with a ratio of 1:1. The detection limits of P1 and P2 were 0.22 μM and 0.87 μM, respectively. It was worth noting that the absorption peak of P1 showed a 190 nm red shift when sensing F^?, and P1 is the largest red shift value reported in F^? probes based on PTAC derivatives. This phenomenon was resulted from the unique configuration and deprotonation of P1 that can promote the intramolecular charge transfer (ICT). This strategy provides an example for the development of other ion probes based on D-A type ICT mechanism.     

Mg,N掺杂β-Ga2O3光电性质的第一性原理计算

通过基于密度泛函理论的第一性原理计算,研究了Mg单掺杂、N单掺杂和不同浓度的Mg-N共掺杂β-Ga₂O₃的结构性质、电子性质和光学性质,以期获得性能比较优异的p型β-Ga₂O₃材料。建立了五种模型:Mg单掺杂、N单掺杂、1个Mg-N共掺杂、2个Mg-N共掺杂和3个Mg-N共掺杂β-Ga₂O₃。经过计算,3个Mg-N共掺杂β-Ga₂O₃体系的结构最稳定。此外,在5种模型中,3个Mg-N共掺杂β-Ga₂O₃体系的禁带宽度是最小的,并且N 2p和Mg 3s贡献的占据态抑制了氧空位的形成,从而增加了空穴浓度。因此,3个Mg-N共掺杂β-Ga₂O₃体系表现出优异的p型性质。3个Mg-N共掺杂体系的吸收峰出现明显红移,在太阳盲区的光吸收系数较大,这归因于导带Ga 4s、Ga 4p、Mg 3s向价带O 2p、N 2p的带间电子跃迁。本工作将为p型β-Ga₂O₃日盲光电材料的研究和应用提供理论指导。     

Modifying the physicochemical properties,solubility and foaming capacity of milk proteins by ultrasound-assisted alkaline pH-shifting treatment

This study investigated the effects of different treatment of alkaline pH-shifting on milk protein concentrate (MPC), micellar casein concentrate (MCC) and whey protein isolate (WPI) assisted by the same ultrasound conditions, including changes in the physicochemical properties, solubility and foaming capacity. The solubility of milk proteins had a significant increase with gradual enhancement of ultrasound-assisted alkaline pH-shifting (p < 0.05), especially for MCC up to 99.50 %. Also, treatment made a significant decline in the particle size of MPC and MCC, as well as the turbidity of the proteins (p < 0.05). The foaming capacity of MPC, MCC, and WPI was all improved, especially at pH 11, and at this pH, the milk protein also showed the highest surface hydrophobicity. The best foaming capacity at pH 11 was the result of the combined effect of particle size, potential, protein conformation, solubility, and surface hydrophobicity. In conclusion, ultrasound-assisted pH-shifting treatment was found to be effective in improving the physicochemical properties and solubility and foaming capacity of milk proteins, especially MCC, with promising application prospect in food industry.