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21.
A. Bande 《Molecular physics》2019,117(15-16):2014-2028
ABSTRACTRecently, highly accurate multi-configuration time-dependent Hartree electron dynamics calculations demonstrated the efficient long-range energy transfer inter-Coulombic decay (ICD) process to happen in charged semiconductor quantum dot (QD) pairs. ICD is initiated by intraband photoexcitation of one of the QDs and leads to electron emission from the other within a duration of about 150 ps. On the same time scale electronically excited states are reported to relax due to the coupling of electrons to acoustic phonons. Likewise, phonons promote ionisation. Here, the QDs' acoustic breathing mode is implemented in a frozen-phonon approach. A detailed comparison of the phonon effects on electron relaxation and emission as well as on the full ICD process is presented, which supports the previous empirical finding of ICD being the dominant decay channel in paired QDs. In addition the relative importance of phonon–phonon, phonon–electron and electron–electron interaction is analysed. 相似文献
22.
Teng GUO Zhen PENG Hui ZHU Li XU Jun-Guo DONG Zheng-Xu HUANG Ping CHENG Zhen ZHOU 《分析化学》2019,47(1):13-22
Ion funnel is a new-style ion guider which can reduce spatial divergence and energy dispersity of the transmission ions by using radio frequency (RF) electric field to confine the ions radially and the direct current (DC) axial electric field to move the ions toward the exit, and thus it can greatly increase the ion transmission efficiency and improve the sensitivity of the mass spectrometry. Since ion funnel was invented in 1997, it has attracted a close attention of mass spectrometry scientists all over the world. Ion funnel has been used in various kinds of mass spectrometry, and built a bridge with high efficiency ion transmission between low vacuum ionization source and high vacuum mass analyzer. In this paper, the principle, technology development, and application progress of ion funnel are reviewed, and the future prospects are prospected. 相似文献
23.
随着化石能源的日益短缺,可再生木质生物质资源的利用越来越受到重视,常压液化技术是生物质资源高效利用的主要方式之一。利用单因素方法,探讨液化温度、复配液化剂二甘醇(DEG)与1,2-丙二醇(PG)的混合比、液固比、催化剂磷酸的用量、反应时间等因素对玉米秸秆液化得率的影响,以便优化其液化工艺;然后采用热重分析仪(TGA)、气相色谱-质谱技术(GC-MS)和核磁共振(NMR)技术对此优化条件下所得生物油的挥发降解特性和主要组成成分进行了检测探讨。分析表明,玉米秸秆液化时优化工艺参数为:液化温度170 ℃,液化剂DEG与PG混合比1∶2,液固比5∶1,H3PO4用量10%,反应时间45 min;此时玉米秸秆液化得率高至99.50%。TGA结果表明,此条件下所得生物油含有80%以上碳数小于25的化合物,热解后最终残炭量约为15%。GC-MS表明,可以检测出此生物油中含有的39种有机物,其中,醇类有机物的含量最多,酚类有机物的含量次之,它们相对含量依次是70.70%和25.63%,其还含有一定量的有机酸(2.80%)、醚类(0.64%)、酯类(0.10%)和酮类(0.13%)等有机物;其组分十分复杂,高含氧量,稳定性较差。1H-和13C-NMR分析表明,不同化学位移δ与生物油中不同类型的质子和碳原子相对应,明确生物油中不同类型H和C的分布,有利于对其分子结构进行深入探讨。这些研究为非木材生物质高效液化条件的选择及液化产物制备化学品和生物燃油给予理论基础与应用支持,促进了生物质资源的有效转化利用及其生物质基产品的开发。 相似文献
24.
Chang-Chun Ding Shao-Yi Wu Li-Juan Zhang Si-Ying Zhong Xiao-Hong Chen 《Molecular physics》2020,118(3)
Metal organic frameworks (MOFs) have been well-known and extensively researched due to the high storage /good selectivity for gas molecules. Herein, the structures and electron paramagnetic resonance (EPR) spectra for dicopper paddle wheel MOF compound (Cu2(µ2-O2CCH3)4 with various gas molecule are theoretically investigated by density functional theory (DFT) calculations. The adsorption energies and isotherms (including pure gas molecules and the mixed ones) are calculated for the gas molecules interacting with the unsaturated Cu2(µ2-O2CCH3)4. Both quantities exhibit the roughly consistent orders (e.g. H2S?>?NH3?>?CO2?>?CO?>?H2O?>?N2?>?NO?>?H2 for isotherms and H2S?>?NH3?>?N2?>?CO2?>?NO?>?H2O?>?H2?>?CO for adsorption energies), possibly suggesting that this material may act as a potential adsorbent of these gas molecules. The catalytic property of Cu2(µ2-O2CCH3)4 for oxidation of CO and NO into non-toxic molecules and splitting of H2O into H2 and O2 in the solvent condition are uniformly discussed. Simulation of Grand Canonical Monte Carlo (GCMC) in MS 8.0 and calculations in Langmuir model reveal that Cu2(µ2-O2CCH3)4 has good selectivity for CH4 in natural gas (CH4/CO2/N2) and SO2 in fog (SO2/NO/NO2/H2O/O2), which would exhibit potential environmentally friendly applications. 相似文献
25.
《Current Applied Physics》2020,20(7):883-887
Voltage control magnetism is one of the most energy efficient pathway towards magnetoelectric (ME) device. Ionic liquid gating (ILG) method has already shown impressive manipulation power at the IL/electrode interface to influence the structure, orbital as well as spin of the electrode materials. As key material in anisotropy magnetoresistance sensor and spin valve heterostructure, the permalloy Ni0.81Fe0.19 was utilized as the electrode to investigate the ILG induced magnetic anisotropy change. In this work, we realized magnetic anisotropy control in Au/[DEME]+[TFSI]-/Ni0.81Fe0.19 (2.5 nm)/Ta heterostructure via ILG caused electrostatic doping. This is evidenced in situ reversible ferromagnetic field (Hr) shift with electron spin resonance (ESR) spectrometer. Aiming at the question whether the charge accumulation at the ionic liquid interface is the main control mechanism at low voltage, we carefully tested the relationship between the change of resonance field and the amount of surface charge. It was found that these two had a good linear relationship between −1 V and +1 V. Defining the linear parameter as A whose value is 28.7 mT m2/Col. Unlike previously reported chemical regulation of Co, this article used ionic liquids to physically regulate NiFe, which has not been studied in the previous ionic liquid regulation. And NiFe has a narrower resonance line width for easy reference to microwave devices. In addition, It also has a stronger ferromagnetic signal than Co, which can be more easily detected as a sensor device. Therefore, this system is more promising. The ILG control NiFe may lead to a new kind of magnetoelectric sensor devices and path a new way to low energy consumption spintronics. 相似文献
26.
27.
Pingyu Zhu Qilin Zheng Shichuan Xue Chao Wu Xinyao Yu Yang Wang Yingwen Liu Xiaogang Qiang Junjie Wu Ping Xu 《Frontiers of Physics》2020,15(6):61501
One of the most important multipartite entangled states, Greenberger–Horne–Zeilinger state (GHZ), serves as a fundamental resource for quantum foundation test, quantum communication and quantum computation. To increase the number of entangled particles, significant experimental efforts should been invested due to the complexity of optical setup and the difficulty in maintaining the coherence condition for high-fidelity GHZ state. Here, we propose an ultra-integrated scalable on-chip GHZ state generation scheme based on frequency combs. By designing several microrings pumped by different lasers, multiple partially overlapped quantum frequency combs are generated to supply as the basis for on-chip polarization-encoded GHZ state with each qubit occupying a certain spectral mode. Both even and odd numbers of GHZ states can be engineered with constant small number of integrated components and easily scaled up on the same chip by only adjusting one of the pump wavelengths. In addition, we give the on-chip design of projection measurement for characterizing GHZ states and show the reconfigurability of the state. Our proposal is rather simple and feasible within the existing fabrication technologies and we believe it will boost the development of multiphoton technologies. 相似文献
28.
Hydrodynamic cavitation (HC) and Fe(II) are advanced oxidation processes, in which pentachlorophenol (PCP) is treated by the redox method of activating persulfate (PS). The kinetics and mechanism of the HC and Fe(II) activation of PS were examined in aqueous solution using an electron spin resonance (ESR) spin trapping technique and radical trapping with pure compounds. The optimum ratio of Fe(II)/PS was 1:2, and the hydroxyl radical (HO) and sulfate radical (SO4−) generation rate were 5.56 mM h−1 and 8.62 μM h−1, respectively. The generation rate and Rct of HO and SO4− at pH 3 and 50 °C in the Fe(II)/PS/HC system are 7584.6 μM h−1, 0.013 and 24.02 μM h−1, 3.95, respectively. The number of radicals was reduced as the pH increased, and it increased with increasing temperature. The PCP reaction rate constants was 4.39 × 10−2 min−1 at pH 3 and 50 °C. The activation energy was 10.68 kJ mol−1. In addition, the mechanism of PCP treatment in the Fe(II)/PS/HC system was a redox reaction, and the HO−/SO4− contribution was 81.1 and 18.9%, respectively. In this study, we first examined PCP oxidation through HO and SO4− quantification using only the Fe(II)/PS/HC process. Furthermore, the results provide the foundation for activation of PS by HC and Fe(II), but also provide a data basis for similar organic treatments other than PCP. 相似文献
29.
制备了3种不同质量浓度的充填体试件,进行了单轴压缩声发射试验,分析了不同浓度的充填体力学特性,重点研究了试件破坏过程中的声发射振铃计数、声发射累计撞击数与声发射累计能量的比值(r值)、主频及其相对高频信号激增响应系数特征。研究表明:随着浓度的增加,充填体的峰值强度与弹性模量呈增大趋势,充填体中出现的声发射累计振铃计数越多;r值先升高再持续减小到一个较低值,随着外载荷的增加,进入缓慢升高阶段,峰值前均保持在该阶段。充填体破裂前兆信息在声发射信号主频分布中呈现主频段增多现象,表现为由加载初期的1~2个主频段,在临界主破裂时增多到3~5个主频段;且随着浓度的增加,声发射信号主频频段分布越宽,声发射相对高频信号(160~180 kHz)的激增响应系数呈递减趋势。以上特征可为不同浓度的尾砂胶结充填体稳定性监测、预测提供依据。 相似文献
30.
Xia Li Gang-Hua Deng Rong-Juan Feng Ke Lin Zhen Zhang Yu Ba Zhou Lu Yuan Guo 《中国化学快报》2016,27(4):535-539
The salt effects on molecular orientation at air/liquid methanol interface were investigated by the polarization-dependent sum frequency generation vibrational spectroscopy(SFG-VS). We clarified that the average tilting angle of the methyl group to be u = 308 58 at the air/pure methanol surface assuming a d-function orientational distribution. Upon the addition of 3 mol/L Na I, the methyl group tilts further away from the surface normal with a new u = 418 38. This orientational change does not explain the enhancement of the SFG-VS intensities when adding Na I, implying the number density of the methanol molecules with a net polar ordering in the surface region also changed with the Na I concentrations. These spectroscopic findings shed new light on the salt effects on the surfaces structures of the polar organic solutions. It was also shown that the accurate determination of the bulk refractive indices and Raman depolarization ratios for different salt concentrations is crucial to quantitatively interpret the SFG-VS data. 相似文献