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1.
锡二硫族化合物可以通过改变硫和硒的含量来连续调控三元合金材料的带隙、载流子浓度等物理化学性质,在电子和光电子器件应用上具有巨大的潜力。本文采用化学气相沉积(CVD)技术可控地制备了不同元素组分的SnSxSe2-x(x=0,0.2,0.5,0.8,1.0,1.2,1.5,1.8,2.0)单晶纳米片。采用扫描电子显微镜(SEM)、原子力显微镜(AFM)、能量色散X射线光谱(EDS)、透射电子显微镜(TEM)以及拉曼光谱等手段对SnSxSe2-x纳米片进行了综合表征。结果表明本方法成功实现了元素百分比可调的SnSxSe2-x单晶纳米片的可控制备。重点研究了依赖于元素百分比的SnSxSe2-x的拉曼特征谱,实验结果与基于密度泛函理论(DFT)的第一性原理计算得到的SnSxSe2-x的拉曼仿真谱高度吻合,理论计算结果较好地诠释了实验拉曼光谱发生变化的原因。本研究提供了一种元素百分比可调的三元SnSxSe2-x单晶纳米片的可控制备方法,同时对锡二硫族化合物的明确、无损识别提供了方案。 相似文献
2.
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。 相似文献
3.
Carotenoids are an essential component of cashew and can be used in pharmaceuticals, cosmetics, natural pigment, food additives, among other applications. The present work focuses on optimizing and comparing conventional and ultrasound-assisted extraction methods. Every optimization step took place with a 1:1 (w:w) mixture of yellow and red cashew apples lyophilized and ground in a cryogenic mill. A Simplex-centroid design was applied for both methods, and the solvents acetone, methanol, ethanol, and petroleum ether were evaluated. After choosing the extractor solvent, a central composite design was applied to optimize the sample mass (59–201 mg) and extraction time (6–34 min). The optimum conditions for the extractor solvent were 38% acetone, 30% ethanol, and 32% petroleum ether for CE and a mixture of 44% acetone and 56% methanol for UAE. The best experimental conditions for UAE were a sonication time of 19 min and a sample mass of 153 mg, while the CE was 23 min and 136 mg. Comparing red and yellow cashews, red cashews showed a higher carotenoid content in both methodologies. The UAE methodology was ca. 21% faster, presented a more straightforward composition of extracting solution, showed an average yield of superior carotenoid content in all samples compared to CE. Therefore, UAE has demonstrated a simple, efficient, fast, low-cost adjustment methodology and a reliable alternative for other applications involving these bioactive compounds in the studied or similar matrix. 相似文献
4.
Zhi Sun Mengfan Zhao Lihua Zuo Shengnan Zhou Feng Fan Qingquan Jia Lianping Xue Hanbing Li Jian Kang Xiaojian Zhang 《Journal of separation science》2022,45(2):518-528
Juglandis Mandshuricae Cortex is the bark of Juglans mandshurica Maxim., which has been used as a folk medicine plant in China and India. In this study, an ultra-high performance liquid chromatography–quadrupole/orbitrap high-resolution mass spectrometry method was developed to clarify and quantify the chemical profiling of Juglandis Mandshuricae Cortex rapidly. A total of 113 compounds were characterized. Among them, seven flavonoids were simultaneously quantified in 15 min, including myricetin, myricetrin, taxifolin, kaempferol, quercetin, quercitrin, and naringenin. The method was validated for accuracy, precision, and the limits of detection and quantification. All calibration curves showed a good linear relationship (r > 0.9990) within test ranges. The intra- and inter-day relative standard deviations were less than 2.16%. Accuracy validation showed that the recovery was between 95.6 and 101.3% with relative standard deviation values below 2.85%. The validated method was successfully applied to determine the contents of seven flavones in Juglandis Mandshuricae Cortex from seven sources and the contents of these places were calculated respectively. This method provides a theoretical basis for further developing the medicinal value of Juglandis Mandshuricae Cortex. 相似文献
5.
Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand 下载免费PDF全文
Zhengran Wang 《中国物理 B》2022,31(4):48202-048202
Excited-state double proton transfer (ESDPT) in the 1-[(2-hydroxy-3-methoxy-benzylidene)-hydrazonomethyl]-naphthalen-2-ol (HYDRAVH2) ligand was studied by the density functional theory and time-dependent density functional theory method. The analysis of frontier molecular orbitals, infrared spectra, and non-covalent interactions have cross-validated that the asymmetric structure has an influence on the proton transfer, which makes the proton transfer ability of the two hydrogen protons different. The potential energy surfaces in both S0 and S1 states were scanned with varying O-H bond lengths. The results of potential energy surface analysis adequately proved that the HYDRAVH2 can undergo the ESDPT process in the S1 state and the double proton transfer process is a stepwise proton transfer mechanism. Our work can pave the way towards the design and synthesis of new molecules. 相似文献
6.
7.
Large amounts of flowback and produced water (FPW) have been generated from hydraulic fracturing process for the production of unconventional gas such as shale gas. Complex organic pollutants are abundantly present in FPW with revealed toxicity to aquatic organisms and these contaminants may transfer into surrounding aquatic environment. Characterization and determination of complicated organic pollutants in FPW remains a challenge due to its complex composition and high salinity matrix. This review article covers the progress of recent 5 years regarding the sample preparation and instrumental analysis methods and thus summarizes the advantages and disadvantages of these methods for critical analysis of organic contaminants in FPW samples. Furthermore, the natural distribution of detected organic compounds and their transformation were reviewed and discussed to enhance the understanding of spatial and temporal behaviors of these organic pollutants in natural environment, paving the way for future development of pollution control policies and strategies. Enlightened by the studies of FPW contamination in the US, the investigations of FPW contamination in China continued to grow due to rapidly growing production of shale gas in China and resulted pollution. 相似文献
8.
掺杂是调控金刚石性能的一种重要手段。本文采用温度梯度法,在5.6 GPa、1 312 ℃的条件下,选用Fe3P作为磷源进行磷掺杂金刚石大单晶的合成。金刚石样品的显微光学照片表明,随着Fe3P添加比例的增加,金刚石晶体的颜色逐渐变深,包裹体数量逐渐增加,晶形由板状转变为塔状直至骸晶。金刚石晶形的变化表明Fe3P的添加使生长金刚石的V形区向右偏移,这是Fe3P改变触媒特性的缘故。红外光谱分析表明,Fe3P的添加使金刚石晶体中氮含量上升,这说明磷的进入诱使氮原子更容易进入金刚石晶格中。激光拉曼光谱测试表明,随着Fe3P添加比例的增加,所合成的掺磷金刚石的拉曼峰位变化不大,其半峰全宽(FWHM)值变大,这说明磷的进入使得金刚石晶格畸变增加。XPS测试结果显示,随着Fe3P添加比例的增加,金刚石晶体中磷相对碳的原子百分含量也会增加,这意味着添加Fe3P所合成的金刚石晶体中有磷存在。 相似文献
9.
Majorana fermions induced fast-and slow-light in a hybrid semiconducting nanowire/superconductor device 下载免费PDF全文
We investigate theoretically Rabi-like splitting and Fano resonance in absorption spectra of quantum dots(QDs)based on a hybrid QD-semiconducting nanowire/superconductor(SNW/SC)device mediated by Majorana fermions(MFs).Under the condition of pump on-resonance and off-resonance,the absorption spectrum experiences the conversion from Fano resonance to Rabi-like splitting in different parametric regimes.In addition,the Fano resonances are accompanied by the rapid normal phase dispersion,which will indicate the coherent optical propagation.The results indicate that the group velocity index is tunable with controlling the interaction between the QD and MFs,which can reach the conversion between the fast-and slow-light.Fano resonance will be another method to detect MFs and our research may indicate prospective applications in quantum information processing based on the hybrid QD-SNW/SC devices. 相似文献
10.
A general framework for describing photofission observables of actinides at an average excitation energy below 30 MeV 下载免费PDF全文
Guan-Lin Wang Hao-Yang Lan Xiao-Ming Shi Zhi-Chao Zhu Wen Luo 《中国物理C(英文版)》2022,46(8):084102-084102-14
A reasonable prediction of photofission observables plays a paramount role in understanding the photofission process and guiding various photofission-induced applications, such as short-lived isotope production, nuclear waste disposal, and nuclear safeguards. However, the available experimental data for photofission observables are limited, and the existing models and programs have mainly been developed for neutron-induced fission processes. In this study, a general framework is proposed for characterizing the photofission observables of actinides, including the mass yield distributions (MYD) and isobaric charge distributions (ICD) of fission fragments and the multiplicity and energy distributions of prompt neutrons (np) and prompt γ rays (γp). The framework encompasses various systematic neutron models and empirical models considering the Bohr hypothesis and does not rely on the experimental data as input. These models are then validated individually against experimental data at an average excitation energy below 30 MeV, which shows the reliability and robustness of the general framework. Finally, we employ this framework to predict the characteristics of photofission fragments and the emissions of prompt particles for typical actinides including 232Th, 235, 238U and 240Pu. It is found that the 238U(γ, f) reaction is more suitable for producing neutron-rich nuclei compared to the 232Th(γ, f) reaction. In addition, the average multiplicity number of both np and γp increases with the average excitation energy. 相似文献