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1.
Physics of the Solid State - Magnetoelectric effects in multiferroics with a perovskite structure, such as bismuth ferrite, rare-earth orthochromites, and Ruddlesden–Popper structures...  相似文献   
2.
The reaction of N2 with trinuclear niobium and tungsten sulfide clusters Nb3Sn and W3Sn (n=0–3) was systematically studied by density functional theory calculations with TPSS functional and Def2-TZVP basis sets. Dissociations of N−N bonds on these clusters are all thermodynamically allowed but with different reactivity in kinetics. The reactivity of Nb3Sn is generally higher than that of W3Sn. In the favorite reaction pathways, the adsorbed N2 changes the adsorption sites from one metal atom to the bridge site of two metal atoms, then on the hollow site of three metal atoms, and at that place, the N−N bond dissociates. As the number of ligand S atoms increases, the reactivity of Nb3Sn decreases because of the hindering effect of S atoms, while W3S and W3S2 have the highest reactivity among four W3Sn clusters. The Mayer bond order, bond length, vibrational frequency, and electronic charges of the adsorbed N2 are analyzed along the reaction pathways to show the activation process of the N−N bond in reactions. The charge transfer from the clusters to the N2 antibonding orbitals plays an essential role in N−N bond activation, which is more significant in Nb3Sn than in W3Sn, leading to the higher reactivity of Nb3Sn. The reaction mechanisms found in this work may provide important theoretical guidance for the further rational design of related catalytic systems for nitrogen reduction reactions (NRR).  相似文献   
3.
Circularly polarized luminescence (CPL) has attracted attention as a next-generation light signal because of its carrying more information compared with normal and linearly polarized lights as well as its potential wide application in information fields. Recently, much attention has been paid to small organic molecules-based CPL emitters because of easy synthesis, fine structural modification at molecular level, and tunable wide range emission wavelength. This review highlights the development of small organic molecules-based CPL emitters in the past 5 years (2017–2021). The progress suggests that small organic molecules-based CPL emitters provide a simple and efficient way to generate CPL.  相似文献   
4.
Supercapacitors (SCs) with high energy density and power density are a research hotspot. Herein, we report a flexible porous carbon membrane supercapacitor prepared by electrospinning polyacrylonitrile (PAN) with γ-cyclodextrin-MOF (γ-CD-MOF) and then carbonizing at 900 °C. BET results showed that the supercapacitor retained the skeleton of γ-CD, γ-CD-MOF and the pores formed by the spun-fibers, which were 0.73, 1.09 and 23–186 nm, respectively, showing a high specific surface area of 134.7 m2/g. The hierarchically porous structures ensure rapid charge transfer and ion diffusion, resulting in the PAN/γ-CD-MOF carbon electrode with a high capacity of 283.3 F/g. Moreover, the supercapacitor had a high energy density up to 17.5 Wh/kg and power density up to 6 kW/kg. Significantly, it showed excellent cycle stability with a capacitance retention of 97.5% after 6000 cycles. This work provides a supramolecular strategy to construct a flexible porous carbon membrane, which has potential for supercapacitor applications.  相似文献   
5.
Cancer is a global issue and a serious threat to human health, one approach to treatment is starvation therapy. Recently, three-dimensional (3D) bioprinted tumor tissue models have been developed; however, whether 3D bioprinted models are good for in vitro study of starvation therapy is unclear. In this study, we studied the state of cells with serum-free medium in both 3D bioprinted scaffold and 2D cell cultures and found that 3D bioprinted cancer cells (3D cells) were more tolerant to serum starvation than 2D cells in terms of cell viability, cell proliferation, and M2 macrophage polarization. Moreover, the ratio of LC3II/I, an index of autophagy, increased much more in 3D cells, and 3D cells showed more autophagosomes than 2D cells after serum starvation, which indicated that the autophagy levels were higher in 3D cells. These results suggested that 3D cells are more tolerant to serum starvation than 2D cells, and autophagy may play an important role in this process.  相似文献   
6.
研究径向压缩形变对碳纳米管电子输运性质的影响对搭建微纳碳基电子器件具有重要意义.本文利用分子动力学模拟方法研究了碳纳米管与金属界面接触构型,得出碳纳米管径向压缩形变的规律.模拟结果表明:碳纳米管在水平接触金属表面后,其稳定状态下的径向压缩形变大小会受接触长度、管径大小、金属种类和片层数量的影响.基于紧束缚密度泛函理论和非平衡格林函数结合的第一性原理,系统地研究了不同直径、手性、片层、径向压缩形变碳纳米管的电子输运性质.研究表明:金属性单壁碳纳米管的电流呈线性增长趋势,且电流-电压的大小只与偏压有关,与直径大小无关;当其存在径向压缩形变时,电流在大偏压下增长趋势减缓,甚至会出现平台效应.半导体性单壁碳纳米管的导通电流随着径向压缩形变的增加而减小,电流-电压曲线逐渐从半导体特性向金属特性转变.随着径向压缩形变的增加,双壁碳纳米管的电流-电压曲线变化规律与金属性单壁碳纳米管的电流-电压曲线变化规律一致,但在相同偏压下,双壁碳纳米管的电流比单壁碳纳米管的电流高1倍;三壁碳纳米管的电流-电压曲线存在较大的振荡波动.  相似文献   
7.
沈荣晨  郝磊  陈晴  郑巧清  张鹏  李鑫 《物理化学学报》2022,38(7):2110014-41
随着化石燃料使用的增加和温室气体排放量持续上升,20世纪以来气温上升得更快。开发环境友好型能源取代传统化石燃料是当务之急。氢能源作为一种清洁、高效的能源,被认为是最有希望取代传统化石燃料的能源。光催化水分解水产氢作为为一种环保型技术被认为是最有前景的氢能生产方法。提高光生电子-空穴对分离效率是构建高效光催化剂的关键。然而,利用高度分散的助催化剂构建高效、稳定的产氢光催化剂仍然是一个挑战。本文首次成功地采用一步原位高温磷化法制备了高度分散的非贵金属三金属过度金属磷化Co0.2Ni1.6Fe0.2P助催化剂(PCNS-CoNiFeP)掺杂P的石墨相氮化碳纳米片(PCNS)。有趣的是,PCNS-CoNiFeP与传统氢氧前驱体磷化法制备的CoNiFeP相比,没有聚集性,分散性高。X射线衍射(XRD)、X射线光电子能谱(XPS)、元素映射图像和高分辨率透射电镜(HRTEM)结果表明,PCNS-CoNiFeP已成功合成。紫外-可见吸收光谱结果表明,PCNS-CoNiFeP在200–800 nm波长范围内较PCNS略有增加。光致发光光谱、电化学阻抗谱(EIS)和光电流分析结果表明,CoNiFeP助催化剂能有效促进光生电子-空穴对的分离,加速载流子的迁移。线性扫描伏安法(LSV)结果还表明,负载CoNiFeP助催化剂可大大降低CNS的过电位。结果表明,以三乙醇胺溶液为牺牲剂的PCNS-CoNiFeP最大产氢速率为1200 μmol·h-1·g-1,是纯CNS-Pt (320 μmol·h-1·g-1)的4倍。在420 nm处的表观量子效率为1.4%。PCNS-CoNiFeP在光催化反应中也表现出良好的稳定性。透射电镜结果表明,6–8 nm的CoNiFeP高度分散在PCNS表面。高度分散的CoNiFeP比聚集的CoNiFeP具有更好的电荷分离能力和更高的电催化析氢活性。由此可见,聚合的CoNiFeP-PCNs (300 μmol·h-1·g-1)的产氢速率远低于PCNS-CoNiFeP。此外,CNS的P掺杂可以改善其电导率和电荷传输。  相似文献   
8.
Baihe-Dihuang Tang is a commonly prescribed remedy for depression. In this study, component screening with untargeted and targeted metabolomics was used to identify potential biomarkers for depression in chronic unpredictable mildly stressed rats. Using this novel identification method, the screening of organic acids, lily saponins, iridoids, and other ingredients formed the basis for subsequent metabolomics research. Baihe-Dihuang Tang supplementation in chronic unpredictable mild-stress-induced depression models, increased their body weight, sucrose preference, brain-derived neurotrophic factor deposition, and spatial exploring. Untargeted metabolomics revealed that Baihe-Dihuang Tang exerts its antidepressant effects by regulating the levels of lipids, organic acids, and its derivatives, and benzenoids in the brain, plasma, and urine of the depressed rats. Moreover, it also modulates the d -glutamine and d -glutamate metabolism and purine metabolism. Targeted metabolomics demonstrated significant reduction in l -glutamate levels in the brains of depressed rats. This could be a potential biomarker for depression. Baihe-Dihuang Tang alleviated depression by regulating the levels of l -glutamate, xanthine, and adenine in the brains of depressed rats. Together, these findings conclusively established the promising therapeutic effect of Baihe-Dihuang Tang on depression and also unraveled the underlying molecular mechanism of its potential antidepressant function.  相似文献   
9.
The rotator cuff repaired construct must establish a contiguous and functioning tendon-bone junction to provide adequate stability. However, fibrocartilage deficiency and bone loss were hardly reversed after physical suture, especially in chronic rotator cuff tears. In this study, we synthesized an injectable methylcellulose/polyvinyl alcohol/polyvinylpyrrolidone-based thermo-sensitive hydrogel, which delivered kartogenin-loaded mesoporous bioactive glass nanoparticles. Physicochemical studies the revealed phase transition temperatures of 35 °C and its ability to induce chondrogenesis and osteogenesis differentiation of tendon-derived stem cells. Furthermore, experiments in rabbit chronic rotator cuff tears model confirmed the fibrocartilage and bone layer regenerative capability of the injected bioactive hydrogel, which could, in turn, support the ultimate tensile stress of the repaired rotator cuff. The bioactive agents-loaded hydrogel reported in this study is a valuable addition to the arsenal of biomaterials in applications to chronic tendon-bone junction injuries.  相似文献   
10.
Bo  Luo  Gao  Wei  Yu  Yuguo  Chen  Xiaojun 《Nonlinear dynamics》2022,110(1):281-311
Nonlinear Dynamics - The perovskite solar cell (PSC) is one of the most promising photovoltaic candidates along with the highly increasing demand for green electricity. One of the main concerns...  相似文献   
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