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[IEEE 2018 IEEE 2nd International Conference on Dielectrics (ICD) - Budapest (2018.7.1-2018.7.5)] 2018 IEEE 2nd International Conference on Dielectrics (ICD) - Method for Calculating Electronic Polarizability of Water Molecules and Refractive Index
摘要： A method for calculating the electronic polarizability of water molecules is proposed. In the approximation of this method, the electronic components of the hyperpolarizability of the first and second order for the water molecule are determined.
关键词： water molecule,electron polarizability,refractive index,hyperpolarizability,electronic polarizability,molar refraction
更新于2025-09-23 15:22:29
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Development of the readout system for a time projection chamber prototype
摘要： A new GEM-TPC prototype with a laser calibration system is being designed to study the key issues of high-precision track detection whose aimed spatial resolution is better than 100 μm. Meanwhile, a readout system with scalability for the TPC is also being developed. Design of the readout system is based on the architecture of front-end ASICs and commercial ADCs for its advantages at high count rates. Given the requirement of several hundred channels, the system is composed of multiple front-end cards and DAQ boards. The DAQ boards are daisy-chained via bidirectional optical fibers, which transmit clock, trigger, data and control signals simultaneously. To achieve timing synchronization, the GigaBit Transceiver (GBT) firmware is employed to ensure fixed latency between the boards. This paper is focused on the design and setup of the DAQ system, including clock structure, trigger alignment, high-speed data acquisition, etc. The DAQ system consisting of 512 channels has been built, and tests have proved that the entire system works correctly and meets the expected requirements.
关键词： Trigger concepts and systems (hardware and software),Electronic detector readout concepts (gas, liquid),Modular electronics,Data acquisition concepts
更新于2025-09-23 15:22:29
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(Bz) <sub/><i>n</i> </sub> and (VBz) <sub/><i>n</i> </sub> covalent functionalized MoS <sub/>2</sub> monolayer: electronic and transport properties
摘要： Inspired by Benzene (Bz) derivatives dramatically enhancing MoS2 monolayer electronic properties (ACS Nano. 2015, 9, 6018–6030), we have investigated electronic and transport properties of (Bz)n/MoS2 and (VBz)n/MoS2, which are designed by grafting (Bz)n and (VBz)n arrays onto 2D monolayer MoS2 (ML-MoS2), respectively, using density functional theory (DFT) and non-equilibrium Green’s function (NEGF) methods. ML-MoS2 provides a perfect substrate for grafting (Bz)n and (VBz)n arrays upon its surface as a result of stable covalent binding energy with -3.841 eV and -1.953 eV for (Bz)n/MoS2 and (VBz)n/MoS2 respectively. From the electronic properties, we can find that grafting (Bz)n onto the ML-MoS2 surface turns ML-MoS2 from typical semiconductor to metallic properties because four wide bands coupled by (Bz)n and MoS2 in (Bz)n/MoS2 show better delocalization in heterointerface, resulting to these bands across the Fermi level (Ef). Furthermore, the introduction of metal V. Transport properties of ML-MoS2, (Bz)n/MoS2 or (VBz)n/MoS2 for two-probe devices are all studied in zigzag and armchair direction. The ferromagnetic (VBz)n/MoS2 shows a spin polarized transport characteristic, spin-down state gives a higher conductivity than spin-up state. By comparison the zigzag direction is the preferential pathway for electron transport. Finally this work suggests that the novel (VBz)n nanowire grafted on MoS2 should have potential application in low-dimensional magnetic nanoelectronic devices.
关键词： (Bz)n/MoS2,(VBz)n/MoS2,covalent functionalized,electronic property,transport property
更新于2025-09-23 15:22:29
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Electronic Medical Record Context Signatures Improve Diagnostic Classification using Medical Image Computing
摘要： Composite models that combine medical imaging with electronic medical records (EMR) improve predictive power when compared to traditional models that use imaging alone. The digitization of EMR provides potential access to a wealth of medical information, but presents new challenges in algorithm design and inference. Previous studies, such as PheWAS (Phenome Wide Association Study), have shown that EMR data can be used to investigate the relationship between genotypes and clinical conditions. Here, we introduce PheDAS (Phenome-Disease Association Study) to extend the statistical capabilities of the PheWAS software through a custom Python package which creates diagnostic EMR signatures to capture system-wide co-morbidities for a disease population within a given time interval. We investigate the effect of integrating these EMR signatures with radiological data to improve diagnostic classification in disease domains known to have confounding factors because of variable and complex clinical presentation. Specifically, we focus on two studies: (1) a study of four major optic nerve related conditions and (2) a study of diabetes. Addition of EMR signature vectors to radiologically-derived structural metrics improves the area under the curve (AUC) for diagnostic classification using elastic net regression, for diseases of the optic nerve. For glaucoma, the AUC improves from 0.71 to 0.83, for intrinsic optic nerve disease it increases from 0.72 to 0.91, for optic nerve edema it increases from 0.95 to 0.96, and for thyroid eye disease from 0.79 to 0.89. The EMR signatures recapitulate known comorbidities with diabetes, such as abnormal glucose but do not significantly modulate image-derived features. In summary, EMR signatures present a scalable and readily applicable approach for using EMR context to increase the statistical power of image derived features.
关键词： CT,MRI,Electronic medical records,Optic nerve
更新于2025-09-23 15:22:29
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Selective reduction of CO2 to CO under visible light by controlling coordination structures of CeOx-S/ZnIn2S4 hybrid catalysts
摘要： Engineering the electronic properties of heterogeneous catalysts is an important strategy to enhance their activity towards CO2 reduction. Herein, we prepared partially sulfurized cerium oxide (CeOx-S) nanoclusters with the size less than 2 nm on the surface of ZnIn2S4 layers. Surface electronic properties of CeOx-S nanoclusters are facilely modulated by cerium coordination to sulfur, inducing the emergence of abundant Ce3+ and oxygen vacancies. For the photoreduction of CO2, CeOx-S/ZnIn2S4 hybrid catalysts exhibited a CO productivity of 1.8 mmol g?1, which was twice as higher as that of ZnIn2S4 catalyst using triethylamine as a sacrificial electron donor. Further mechanistic studies reveal that the photogenerated electrons are trapped by oxygen vacancies on CeOx-S/ZnIn2S4 catalysts and subsequently transfer to CO2, benefiting the activation of CO2. Moreover, the extremely high selectivity of CO is derived from the weak adsorption of CO on the surface of CeOx-S/ZnIn2S4 catalysts.
关键词： CeOx-S Nanoclusters,CO2 photoreduction,Electronic properties,Partial sulfurization,Visible light
更新于2025-09-23 15:22:29
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Investigation on electronic structure and luminescence mechanism of CaF2:Eu3+ from first principles calculations
摘要： In this work, we present the results of theoretical calculations based on the density functional theory (DFT) of structural, electronic and optical properties of CaF2 crystal doped with Eu3+ ion. This study covers both ground and excited states of considered material by ?xing spin magnetic moment 6μB and 4μB, respectively. The Eu3+ doping induces slight displacement of its nearest neighbors. The presence of Eu3+ ion is con?rmed by the calculated charge density and magnetic moment. Some electronic states belonging to 4f orbital are found in the forbidden energy region of CaF2 and the spin ?ipping of one 4f electron of Eu3+ caused by the excitation is demonstrated by means of the computed electronic properties. The absorption spectra of CaF2:Eu3+ is calculated and compared with that of pure CaF2. Finally, the possible mechanism of luminescence is proposed based on the obtained electronic and optical properties.
关键词： CaF2:Eu3+,First principles study,Electronic structure,Luminescence
更新于2025-09-23 15:22:29
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Electronic transition dipole moment and radiative lifetime calculations of lithium dimer ion-pair states
摘要： We present here a computational study of the lifetimes of the ion-pair n1Rt g , n = 3–6, states of lithium dimer. The lifetimes are calculated using ab initio electronic transition dipole moment functions and combination of experimental and ab initio potential curves. The ab initio calculations are carried out using the full configuration-interaction method. The lifetime calculations include the radiative contributions of all the allowed bound–bound and bound-free transitions to lower electronic states. In addition, to test the computational methods used in this work, we have calculated the lifetimes of levels of the lowest excited singlet, A1Rt u , state of lithium dimer.
关键词： Electronic transition dipole moment,Lithium dimer,Lifetime,Ion-pair states
更新于2025-09-23 15:22:29
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Resolving the nature of electronic excitations in resonant inelastic x-ray scattering
摘要： The study of elementary bosonic excitations is essential toward a complete description of quantum electronic solids. In this context, resonant inelastic x-ray scattering (RIXS) has recently risen to becoming a versatile probe of electronic excitations in strongly correlated electron systems. The nature of the radiation-matter interaction endows RIXS with the ability to resolve the charge, spin, and orbital nature of individual excitations. However, this capability has been only marginally explored to date. Here, we demonstrate a systematic method for the extraction of the character of excitations as imprinted in the azimuthal dependence of the RIXS signal. Using this approach, we resolve the charge, spin, and orbital nature of elastic scattering, (para-)magnon/bimagnon modes, and higher-energy dd excitations in magnetically ordered and superconducting copper oxide perovskites (Nd2CuO4 and YBa2Cu3O6.75). Our method derives from a direct application of scattering theory, enabling us to deconstruct the complex scattering tensor as a function of energy loss. In particular, we use the characteristic tensorial nature of each excitation to precisely and reliably disentangle the charge and spin contributions to the low-energy RIXS spectrum. This procedure enables to separately track the evolution of spin and charge spectral distributions in cuprates with doping. Our results demonstrate a new capability that can be integrated into the RIXS toolset and that promises to be widely applicable to materials with intertwined spin, orbital, and charge excitations.
关键词： spin,resonant inelastic x-ray scattering,cuprates,azimuthal dependence,RIXS,electronic excitations,orbital,charge
更新于2025-09-23 15:22:29
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Electronic Structure for Europium Chalcogenides with Modified Becke–Johnson Potential Plus an On-Site Coulomb U (mBJ+U)
摘要： The full potential linearized-augmented-plane-wave (FP-LAPW) method is generalized to a case of an all-electron fully-relativistic spin-polarized self-consistent band calculation based on the relativistic spin-density functional theory and the modified Becke–Johnson potential (TB-mBJ) plus an on-site coulomb U employed for greater generation of the band gap. The results show that these materials are semiconducting materials. The indirect energy gap obtained in this calculation is 1.63 eV, 1.79 eV and 1.96 eV for EuS, EuSe and EuTe, respectively. It is clear from the plots that LSDA + U is a poor technique for the calculation of the band gaps of chalcogenides (EuX). The calculated results for EuX (S, Se and Te) by mBJ + U are in good agreement with the experimental values as compared to the other calculated results.
关键词： FP-LAPW,europium chalcogenides,mBJ + U,electronic structure.
更新于2025-09-23 15:22:29
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Novel Luminescent Multilayer Films with Magnetic and Electronic Microenvironment
摘要： Luminescent multilayer thin films (MTFs) based on exfoliated magnetic layered double hydroxides (LDHs) with/without oppositely-charged montmorillonite (MMT) nanosheets were fabricated via layer-by-layer self-assembly method. In this work, we chose transition metal-bearing LDHs nanosheets to offer magnetic field for the chromophores. At the same time, the oppositely-charged nanosheets can provide additional electronic microenvironment (EME). As a result, both EME and magnetic field have remarkable influences on enhancing the luminescent lifetimes of chromophores, which suggests a new pathway to develop the novel light-emitting materials and optical devices.
关键词： Montmorillonite,Electronic Microenvironment,Magnetic Field,Layered Double Hydroxides,Luminescence
更新于2025-09-23 15:22:29