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Potential Dependence of Mechanical Stability and Electronic Coupling of Single S-Au Bonds
摘要： Providing a mechanically stable and electronically efficient coupling between a molecule and an electrode is critical to the study of charge transfer and conductance of the molecule. A common method is to link the molecule to Au electrodes via a linker (e.g., thiol terminal of the molecule). Here we study the mechanical stability and electronic coupling of S-Au bond in single molecule junctions over a broad range of electrode potential. Our results show that the mechanical and electromechanical properties of molecule-electrode contact undergo a systematic change with the potential involving Au oxidation at positive potentials and S protonation at negative potentials. The study establishes the potential range for a stable S-Au bond and determines the potential dependence of the mechanical and electromechanical properties of the molecule-electrode contact, which is crucial to the interpretation of potential dependent charge transfer in electrochemistry and electrochemical gating of charge transport in molecular electronics.
关键词： molecule-electrode contact,electronic coupling,electrode potential,S-Au bond,mechanical stability
更新于2025-09-23 15:21:21
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Nonradiative decay and absorption rates of quantum emitters embedded in metallic systems: Microscopic description and their determination from electronic transport
摘要： We investigate nonradiative decay and absorption rates of two-level quantum emitters embedded in a metal at low temperatures. We obtain the expressions for both nonradiative transition rates and identify a unique, experimentally accessible way to obtain both nonradiative transition rates via electronic transport in the host metallic system. Our findings not only provide a microscopic description of the nonradiative channels in metals, but they also allow one to identify, determine, and differentiate them from other decay channels, which is crucial to the understanding and controlling of the light-matter interactions at the nanoscale.
关键词： nonradiative decay,metallic systems,quantum emitters,electronic transport,absorption rates
更新于2025-09-23 15:21:21
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Electronic structure of graphene nanoribbons on hexagonal boron nitride
摘要： Hexagonal boron nitride is an ideal dielectric to form two-dimensional heterostructures due to the fact that it can be exfoliated to be just a few atoms thick and its very low density of defects. By placing graphene nanoribbons on high quality hexagonal boron nitride it is possible to create ideal quasi-one-dimensional systems with very high mobility. The availability of high quality one-dimensional electronic systems is of great interest also given that when in proximity to a superconductor they can be effectively engineered to realize Majorana bound states. In this work we study how a boron nitride substrate affects the electronic properties of graphene nanoribbons. We consider both armchair and zigzag nanoribbons. Our results show that for some stacking configurations the boron nitride can significantly affect the electronic structure of the ribbons. In particular, for zigzag nanoribbons, due to the lock between spin and sublattice degree of freedom at the edges, the hexagonal boron nitride can induce a very strong spin splitting of the spin-polarized, edge states. We find that such spin splitting can be as high as 40 meV.
关键词： heterostructures,graphene nanoribbons,hexagonal boron nitride,spin splitting,electronic structure
更新于2025-09-23 15:21:21
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COMPACT ROTMAN LENS STRUCTURE CONFIGURATIONS TO SUPPORT MILLIMETER WAVE DEVICES
摘要： The development of modern communication devices for the latest technologies such as 5G has brought the millimeter wave technology into the spotlight because it offers higher data rates and bandwidth. Since highly directional transmissions are necessary for communication in these frequencies due to high path loss and atmospheric absorption, the use of adaptive antennas is inevitable. Rotman lenses have long been used as analog beam forming networks to support linear array antennas for electronic scanning. Their broad bandwidth and planar structure make them ideal for a variety of applications. However, their overall dimensions can be prohibitive especially for large scan angles. In this paper, we propose a few compact configurations that reduce the overall dimensions of Rotman lens as much as 50% without degrading its performance.
关键词： compact configurations,Rotman lens,millimeter wave,beam forming networks,electronic scanning
更新于2025-09-23 15:21:21
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[IEEE IGARSS 2018 - 2018 IEEE International Geoscience and Remote Sensing Symposium - Valencia, Spain (2018.7.22-2018.7.27)] IGARSS 2018 - 2018 IEEE International Geoscience and Remote Sensing Symposium - FAST DECEPTIVE JAMMING AGAINST TOPSAR
摘要： Terrain observation by progressive scans synthetic aperture radar (TOPSAR) is a novel two dimensional imaging mode with wide swath coverage. However, it will cause problems when our regions of interest are being detected by hostile TOPSAR. To prevent this threaten from TOPSAR, this paper presents a corresponding deceptive jamming method by taken the effect of changing relative position between jammer and TOPSAR platform into consideration. Meanwhile, our approach decomposes the jamming problem against TOPSAR into simpler sub-problems of the same type. Therefore, a parallel processing scheme could be carried out to implement effectively jamming against TOPSAR.
关键词： electronic countermeasure (ECM),deceptive jamming,Terrain observation by progressive scans synthetic aperture radar (TOPSAR),partitioned deceptive template
更新于2025-09-23 15:21:21
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[IEEE 2018 31st International Vacuum Nanoelectronics Conference (IVNC) - Kyoto, Japan (2018.7.9-2018.7.13)] 2018 31st International Vacuum Nanoelectronics Conference (IVNC) - Development of ultrafast electronic oscillator by exploiting advantage of cold cathodes
摘要： Origin of the upper frequency limit in vacuum devices was investigated. New analytical theory was developed for a simple vacuum diode in which electrons are launched on a cathode surface and are accelerated or decelerated toward an anode by a DC-biased AC electric field. We found electrons or charge carriers collectively arrives on the anode surface regardless of the frequency of the AC electric field if a diode configuration and the electric field are manipulated with some parameter values given by our theoretical calculations. The extraordinary collective behavior of electrons exceeds the transit-time limit which has given the upper frequency barrier in transitional electronic devices. For the novel electron devices, cold cathodes which emit electrons by the field emission is preferable to conventional thermionic cathodes because of the high nonlinearity between the current and the applied voltage. We are expanding the principle to develop a novel electronic oscillator that can operate in the terahertz frequency regime which demands ultrafast physical phenomenon.
关键词： ultrafast,vacuum device,cold cathode,electronic oscillator,transit-time limit
更新于2025-09-23 15:21:21
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A Monte Carlo based dosimetric characterization of Esteya <sup>?</sup> , an electronic surface brachytherapy unit
摘要： The purpose of this work is threefold: First, to obtain the phase-space of an electronic brachytherapy (eBT) system designed for surface skin treatments. Second, to explore the use of some efficiency enhancing (EFEN) strategies in the determination of the phase-space. Third, to use the phase-space previously obtained to perform a dosimetric characterization of the Esteya eBT system. Methods: The Monte Carlo study of the 69.5 kVp x-ray beam of the Esteya? unit (Elekta Brachytherapy, Veenendaal, The Netherlands) was performed with PENELOPE2014. The EFEN strategies included the use of variance reduction techniques and mixed Class II simulations, where transport parameters were fine-tuned. Four source models were studied varying the most relevant parameters characterizing the electron beam impinging the target: the energy spectrum (mono-energetic or Gaussian shaped), and the electron distribution over the focal spot (uniform or Gaussian shaped). Phase-spaces obtained were analyzed to detect differences in the calculated data due to the EFEN strategy or the source configuration. Depth dose curves and absorbed dose profiles were obtained for each source model and compared to experimental data previously published. Results: In our EFEN strategy, the interaction forcing variance reduction (VRIF) technique increases efficiency by a factor ~ 20. Tailoring the transport parameters values (C1 and C2) does not increase the efficiency in a significant way. Applying a universal cutoff energy EABS of 10 keV saves 84% of CPU time whilst showing negligible impact on the calculated results. Disabling the electron transport by imposing an electron energy cutoff of 70 keV (except for the target) saves an extra 8% (losing in the process 1.2% of the photons). The Gaussian energy source (FWHM = 10%, centered at the nominal kVp, homogeneous electron distribution) shows characteristic K-lines in its energy spectrum, not observed experimentally. The average photon energy using an ideal source (mono-energetic, homogeneous electron distribution) was 36.19 ± 0.09 keV, in agreement with the published measured data of 36.2 ± 0.2 keV. The use of a Gaussian-distributed electron source (mono-energetic) increases the penumbra by 50%, which is closer to the measurement results. The maximum discrepancy of the calculated percent depth dose with the corresponding measured values is 4.5% (at the phantom surface, less than 2 % beyond 1 mm depth) and 5% (for the 80% of the field) in the dose profile. Our results agree with the findings published by other authors and are consistent within the expected Type A and B uncertainties. Conclusions: Our results agree with the published measurement results within the reported uncertainties. The observed differences in PDD, dose profiles and photon spectrum come from three main sources of uncertainty: inter-machine variations, measurements and Monte Carlo calculations. It has been observed that a mono-energetic source with a Gaussian electron distribution over the focal spot is a suitable choice to reproduce the experimental data.
关键词： simulation efficiency,Monte Carlo simulation,electronic brachytherapy,surface treatment,dosimetry,x-ray source
更新于2025-09-23 15:21:21
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Handbook of Materials Modeling (Applications: Current and Emerging Materials) || Incorporating Electronic Effects in Molecular Dynamics Simulations of Neutron and Ion-Induced Collision Cascades
摘要： Molecular dynamics offers an ideal method for investigating the evolution of collision cascades and the formation of the resulting primary radiation damage. However, several modifications to classical molecular dynamics are needed in order to facilitate simulating the highly non-equilibrium cascade process. One such modification, which is still a point of active research, concerns methods by which electronic effects, which are expected to be important in collision cascades, can be included in molecular dynamics simulations, where a priori atoms are treated as classical particles and electrons are only present implicitly through the atomic interactions represented by the interatomic potential. This chapter describes current methods by which electronic effects can be accounted for in cascade simulations, with special focus on the developments in the field that have taken place over the last 10 years.
关键词： interatomic potential,collision cascades,electronic effects,radiation damage,Molecular dynamics
更新于2025-09-23 15:21:21
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[NanoScience and Technology] Silicene (Prediction, Synthesis, Application) || Properties of Monolayer Silicene on Ag(111)
摘要： The expected properties of silicene and their theoretical background have already been discussed in Chaps. 1–3 and the different ways to synthesize this new 2D material in Chap. 5. It has already been mentioned that such a synthesis requires an adequate substrate material to accommodate the formation of a one-atom-thin silicon layer. Such a material is silver, in particular the Ag(111) surface plane. In this chapter the formation and properties of silicene formed epitaxially on the Ag(111)(1 × 1) surface are discussed. We will see that the properties of these silicene layers are modi?ed with respect to the ones of free-standing silicene, due to the interaction with the substrate. For this reason we will refer to it as epitaxial silicene and look in detail at its two-dimensional (2D) character. A more detailed look at the formation of Si layers on Ag(111) shows that, depending on the speci?c preparation conditions, several 2D Si phase can be formed. Differences and similarities of these structures will be discussed. Furthermore, we will draw the intention on the chemical and temperature stability of these epitaxial silicene layers and unveil the limits for the silicene formation.
关键词： silicene,2D materials,Ag(111),vibrational properties,electronic properties,epitaxial growth
更新于2025-09-23 15:21:21
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[NanoScience and Technology] Silicene (Prediction, Synthesis, Application) || Atomic and Electronic Structure of Silicene on Ag: A Theoretical Perspective
摘要： The isolation of graphene sheets from its parent crystal graphites has given the kick to experimental research on its prototypical 2D elemental cousin, silicene [1]. Unlike graphene, silicene lacks a layered parent material from which it could be derived by exfoliation. Hence, the efforts of making the silicene dream a reality were focused on epitaxial growth of silicene on substrates. The first synthesis of epitaxial silicene on silver (111) [27, 46] and zirconium diboride templates [16] and next on an iridium (111) surface [31], has boosted research on other elemental group IV graphene-like materials, namely, germanene and stanene [30, 48]. The boom is motivated by several new possibilities envisaged for future electronics, typically because of the anticipated very high mobilities for silicene and germanene [49], as well as potential optical applications [30]. It is also fuelled by their predicted robust 2D topological insulator characters [14, 28] and potential high temperature superconductor character [5, 50]. One of the most promising candidates as a substrate is Ag because from the studies of the reverse system, where Ag atoms were deposited on silicon substrate, it was known that Ag and silicon make sharp interfaces without making silicide compounds.
关键词： theoretical perspective,electronic structure,silicene,Ag(111),epitaxial growth
更新于2025-09-23 15:21:21