Electron Tunneling Research Articles

Sub-cycle strong-field tunneling dynamics in solids

Tunneling ionization is a crucial process in the interaction between strong laser fields and matter which initiates numerous nonlinear phenomena including high-order harmonic generation, photoelectron holography, etc. Both adiabatic and nonadiabatic tunneling ionization are well understood in atomic systems. However, the tunneling dynamics in solids, especially nonadiabatic tunneling, has not yet been fully understood. Here, we study the sub-cycle resolved strong-field tunneling dynamics in solids via a complex saddle-point method. We compare the instantaneous momentum at the moment of tunneling and the tunneling distances over a range of Keldysh parameters. Our results demonstrate that for nonadiabatic tunneling, tunneling ionization away from Γ point is possible. When this happens the electron has a nonzero initial velocity when it emerges in the conduction band. Moreover, consistent with atomic tunneling, a reduced tunneling distance as compared to the quasi-static case is found. Our results provide remarkable insight into the basic physics governing the sub-cycle electron tunneling dynamics with significant implications for understanding subsequent strong-field nonlinear phenomena in solids.

Acoustic Levitation Synthesis of Ultrahigh‐Density Spherical Nucleic Acid Architectures for Specific SERS Analysis

AbstractControllably regulating the electrostatic bilayer of nanogold colloids is a significant premise for synthesizing spherical nucleic acid (SNA) and building ordered plasmonic architectures. We develop a facile acoustic levitation reactor to universally synthesize SNAs with an ultra‐high density of DNA strands, which is even higher than those of various state‐of‐the‐art methods. Results reveal a new mechanism of DNA grafting via acoustic wave that can reconfigure the ligands on colloidal surfaces. The acoustic levitation reactor enables substrate‐free three‐dimentional (3D) spatial assembly of SNAs with controllable interparticle nanogaps through regulating DNA lengths. This kind of architecture may overcome the plasmonic enhancement limits by blocking electron tunneling and breaking electrostatic shielding in dried aggregations. Finite element simulations support the architecture with 3D spatial plasmonic hotspot matrix, and its ultrahigh surface‐enhanced Raman scattering (SERS) capability is evidenced by in situ untargeted tracking of biomolecular events during photothermal stimulation (PTS)‐induced cell death process. For biomarker diagnosis, the conjugation of adenosine triphosphate (ATP) aptamer onto SNAs enables in situ targeted tracking of ATP during PTS‐induced cell death process. Particularly, the CD71 receptor and integrin α3β1 protein on PL45 cell membrance could be well distinguished by label‐free SERS fingerprints when using specific XQ‐2d and DML‐7 aptamers, respectively, to synthesize SNA architectures. Our current acoustic levitation reactor offers a new method for synthesizing SNAs and enables both targeted and untargeted SERS analysis for tracking molecular events in living systems. It promises great potentials in biochemical synthesis and sensing in future.

Acoustic Levitation Synthesis of Ultrahigh-Density Spherical Nucleic Acid Architectures for Specific SERS Analysis.

Controllably regulating the electrostatic bilayer of nanogold colloids is a significant premise for synthesizing spherical nucleic acid (SNA) and building ordered plasmonic architectures. We develop a facile acoustic levitation reactor to universally synthesize SNAs with an ultra-high density of DNA strands, which is even higher than those of various state-of-the-art methods. Results reveal a new mechanism of DNA grafting via acoustic wave that can reconfigure the ligands on colloidal surfaces. The acoustic levitation reactor enables substrate-free three-dimentional (3D) spatial assembly of SNAs with controllable interparticle nanogaps through regulating DNA lengths. This kind of architecture may overcome the plasmonic enhancement limits by blocking electron tunneling and breaking electrostatic shielding in dried aggregations. Finite element simulations support the architecture with 3D spatial plasmonic hotspot matrix, and its ultrahigh surface-enhanced Raman scattering (SERS) capability is evidenced by in situ untargeted tracking of biomolecular events during photothermal stimulation (PTS)-induced cell death process. For biomarker diagnosis, the conjugation of adenosine triphosphate (ATP) aptamer onto SNAs enables in situ targeted tracking of ATP during PTS-induced cell death process. Particularly, the CD71 receptor and integrin α3β1 protein on PL45 cell membrance could be well distinguished by label-free SERS fingerprints when using specific XQ-2d and DML-7 aptamers, respectively, to synthesize SNA architectures. Our current acoustic levitation reactor offers a new method for synthesizing SNAs and enables both targeted and untargeted SERS analysis for tracking molecular events in living systems. It promises great potentials in biochemical synthesis and sensing in future.

Electron Delocalization and Electrochemical Potential Distribution Phenomena in Faradaic Electrode Materials for Understanding Electrochemical Behavior

AbstractElectrochemical energy storage devices are built upon the foudations of batteries and supercapacitors. In the past decade, new pseudocapacitor‐like electrodes are intensively developed to obtain superior energy storage performance. Pseudocapacitive matarials store charge through Faradaic processes, while the electrochemical signal remains like electrochemical double‐layer capacitors (EDLCs). To address this controversy, an analytical model is introduced for evaluating the voltammograms of electrode materials. Given this, the work focuses on understanding the origin of the pseudocapacitive phenomena in the cyclic voltammetry (CV) electrochemical signal. Based on electron transfer mechanism and tunnelling effect within the atomic structure, pseudocapacitive matarials possess a high electron delocalization possibility related to the redox centers number and initiates the electrochemical potential distribution among neighboring redox sites, which is consequently observed in the electrochemical signal as the plateau feature in CV, like EDLC. First, the determination of the capacitive tendency of various electrode materials is proposed, which turns out to be relative to the redox centers number (n) and total charge (Z). Here, when this number is large, electron hopping will very likely happen. The developed model is versatile to predict rate/potential regimes for the maximum faradaic storage, and then well differentiates the pseudocapacitive and battery materials.

Hybrid Moiré Excitons and Trions in Twisted MoTe2-MoSe2 Heterobilayers.

We report experimental and theoretical studies of MoTe2-MoSe2 heterobilayers with rigid moiré superlattices controlled by the twist angle. Using an effective continuum model that combines resonant interlayer electron tunneling with stacking-dependent moiré potentials, we identify the nature of moiré excitons and the dependence of their energies, oscillator strengths, and Landé g-factors on the twist angle. Within the same framework, we interpret distinct signatures of bound complexes among electrons and moiré excitons in nearly collinear heterostacks. Our work provides a fundamental understanding of hybrid moiré excitons and trions in MoTe2-MoSe2 heterobilayers and establishes the material system as a prime candidate for optical studies of correlated phenomena in moiré lattices.

Potential prediction in aqueous organic redox-targeting flow batteries: DFT calculation and experimental validation

Aqueous organic redox flow batteries (AORFBs) face challenges of low energy density, which can be addressed by the strategy of redox-targeting (RT) reaction integrating solid materials (SMs) with redox mediators (RMs). However, the potential matching between SM and RM is demanding and complex. In this work, we establish a precise density functional theory (DFT) protocol to predict redox potential in RT-AORFB with anthraquinone-2,7-disulfonic acid (AQDS) derivatives as RM and poly(N-anthraquinoyl pyrrole) (PAQPy) as SM. Theoretical redox potentials are calculated from the Gibbs free energy (GFE) of various molecular models. The results suggest a precise potential match for 1,8-dihydroxyanthraquinone-2,7-disulfonic acid (1,8-DHAQDS) and PAQPy (-1.08 V and -1.09 V vs. SHE). Additionally, hydrogen bonding is involved to make simulation results more realistic, demonstrating a positive potential shift with increased GFE difference for both AQDS derivatives and PAQPy. To further elucidate the influencing mechanism of hydrogen bonding, electrostatic potential (ESP) and HOMO-LUMO gap are integrated together with GFE. The results indicate the introduction of hydrogen bonding results in extended distance for electron tunneling and a larger HOMO-LUMO gap, leading to higher GFE difference and a positive potential shift. Remarkably, results of experimental validations agree well with theoretical potential calculation. Based on predictions results, the RT-AORFB is successfully constructed with the well-matched 1,8-DHAQDS and PAQPy, exhibiting a 3.86-fold capacity enhancement compared to blank AORFB with 1,8-DHAQDS. The integrated DFT approach with GFE, ESP and HOMO-LUMO gap in this work emerges as a promising method for accurately predicting redox potentials in RT systems.

Quantum transport in WSe2/SnSe2 tunneling field effect transistors with high-k gate dielectrics

Combining two-dimensional materials and high-k gate dielectrics offers a promising way to enhance the device performance of tunneling field-effect transistor (TFET). In this work, the device performance of WSe2/SnSe2 TFET with various gate dielectric materials is investigated based on quantum transport simulation. Results show that TFETs with high-k gate dielectric materials exhibit improved on-off ratio and enhanced transconductance. The optimized WSe2/SnSe2 TFET with TiO2 gate dielectrics achieves an on-state current of 1560 μA/μm and a subthreshold swing (SS) of 48 mV/dec. The utilization of high-k gate dielectric materials results in shorter tunneling length, higher transmission efficiency, and increased electron tunneling probability. The performance of the WSe2/SnSe2 TFET would be affected by the presence of the underlap region. Moreover, WSe2/SnSe2 TFETs with La2O3 dielectric can be scaled down to 3 nm while meeting high-performance (HP) device requirements according to the International Technology Roadmap for Semiconductors (ITRS). This research presents a practical solution for designing advanced logic devices in the sub-5 nm technology node.

2D Memory Selectors with Giant Nonlinearity Enabled by Van der Waals Heterostructures.

The integration of one-selector-one-resistor crossbar arrays requires the selectors featured with high nonlinearity and bipolarity to prevent leakage currents and any crosstalk among distinct cells. However, a selector with sufficient nonlinearity especially in the frame of device miniaturization remains scarce, restricting the advance of high-density storage devices. Herein, a high-performance memory selector is reported by constructing a graphene/hBN/WSe2 heterostructure. Within the temperature range of 300-80K, the nonlinearity of this selector varies from ≈103-≈104 under forward bias, and increases from ≈300-≈105 under reverse bias, the highest reported nonlinearity among 2D selectors. This improvement is ascribed to direct tunneling at low bias and Fowler-Nordheim tunneling at high bias. The tunneling current versus voltage curves exhibit excellent bipolarity behavior because of the comparable hole and electron tunneling barriers, and the charge transport polarity can be effectively tuned from N-type or P-type to bipolar by simply changing source-drain bias. In addition, the conceptual memory selector exhibits no sign of deterioration after 70000 switching cycles, paving the way for assembling 2D selectors into modern memory devices.

Analytical Modelling and Performance Characterization of Single Electron Transistor

One important component of the present nanotechnology research field is single electron transistor (SET) which has unrealized quality to operate at breakneck speeds with ultralow power consumption. The single electron transistor is a novel nanoscale switching device that can regulate the motion of a single electron in addition to maintaining its scalability down to the atomic level. In this context, scalability refers to the ability of electronic device to function better as their dimensions get smaller. The basic device properties that this single electron transistor (SET) operates on "quantized current-voltage (I-V) characteristic," "single electron tunneling effect," and "Coulomb blockade," are also covered. This study presents some of the key SET-related topics, such as modelling and simulation methods. Simulation of Nanostructures Method (SIMON) is circuit simulator for tunneling device with just a single electron device based on Monte Carlo approach. It enables simulation of any kind of circuits with voltage source, junctions in tunnels and capacitors in quasi stationary mode and transient mode. The most significant feature of SET that is applied in the research work is Coulomb blockade oscillation, so at the conclusion of this paper, a number of simulations utilizing the SIMON simulator are shown. The simulation results show that for gate capacitance CG = 2af, C∑ = 3af, IBIAS = 2nA, tunnel barrier resistance RT > 4.1KΩ and operating temperature T=21K the model reflects real SET characteristic with maximum voltage gain.

A Mg2Si/Si heterojunction based dielectric modulated dopingless TFET biosensor for label free detection

In this work, we contrasted the potential of Mg2Si/Si heterojunction-based dopingless (DL) double gate tunnel field effect transistor (DGTFET) with conventional (C)-DL-DGTFET. The simulation results exhibit excellent capabilities of Mg2Si source DL-DGTFET in terms of electrical properties, that are ION, ION/IOFF, electron tunnelling rate, Vth and SS in comparison to C-DL-TFET. A remarkable improvement of 77.5 % and 81.3 % is observed while computing Vth and SS, in the case of Mg2Si source DL-DGTFET. For that reason, to avail most advantage of Mg2Si/Si heterojunction, the proposed device with similar specifications and dimensions is critically analysed for biosensing applications. Dual cavities (20 nm x 5 nm) are carved underneath gate electrodes near source channel junction to grab the biomolecules. The proposed biosensor (Mg2Si source DL-DGTFET) exhibits significant sensitivity results for both charged (deoxyribonucleic acid (DNA)) and uncharged (neutral) biomolecules. Also, we have reported an impact on biosensor sensitivity with variation in the height of nanocavity (tbio). The effect of steric hindrance on sensitivity is analysed by considering four step profiles - increasing, decreasing, convex and concave. The result reveals the competency of Mg2Si/Si heterojunction DL-DGTFET in terms of overall device sensitivity.

Alleviation of the on-state dynamic conductance decline in a GaN high electron mobility transistor with heavy carbon doping

Carbon doping is a standard blocking-voltage-enhancing technique for commercial silicon substrate-based AlGaN/GaN power switching transistors, although the incorporation of carbon into GaN may deteriorate the dynamic on-state resistance (dy-R on) properties of the device. Commonly, researchers have believed that the greater the carbon doping, the greater the deterioration in dy-R on. Surprisingly, in this work, the opposite was observed: the dy-R on value decreased as the carbon concentration increased, particularly when the density exceeded several 1017 cm−3. This phenomenon is explained by the effect of electric field-induced band-to-band electron tunneling into the two-dimensional electron gas (2DEG) conduction channel, originating from the ionization of acceptor-like nitrogen site carbon atoms (CN) in the device off-state with large drain bias. Simulation data indicated that negatively ionized CN may generate a much larger electric field in samples with higher carbon doping, which may induce a narrower 2DEG back energy band barrier that increases the possibility of electron band-to-band tunneling.

Structural and optical properties of position-controlled n-ZnO nanowire arrays: Potential applications in optoelectronics

Highly position-controlled ZnO nanowire (NW) arrays and nanowire-cluster (NW–C) arrays are grown on mask-patterned gallium nitride (GaN) substrates by hydrothermal method. Electroluminescence (EL) emissions with blue-violet light at forward-bias(fb) voltage, EL emissions with yellow light at reverse-bias(rb) voltage, and EL emission at both rb voltages and rb voltages were achieved by the adjustment of the size of the heterojunction interface between wire arrays and film. The high rb current is attributed to electron tunneling transport edge effect via a narrow tunnel barrier. The obtained results highlight that the EL characteristics of ZnO NWs can be tuned and controlled through the size of the heterojunction interface between wire arrays and film. Besides, the nonplanar heterogeneous structure of ZnO NW arrays/GaN film also shown a great spectral response characteristic in the ultraviolet(UV) band, which proves that the structure of is worthy of being studied to achieve high performance UV photodetectors.

Effect of Quasi-One-Dimensional Properties on Source/Drain Contacts in Vertical Nanowire Field-Effect Transistors (VNWFETs).

In this study, we investigated the influence of quasi-one-dimensional (Quasi-1D) characteristics on the source and drain contact resistances within vertical nanowire (NW) field-effect transistors (FETs) of diminutive diameter. The top contact of the NW is segregated into two distinct regions: the first encompassing the upper surface, designated as the axial contact, and the second encircling the side surface, known as the radial contact, which is formed during the top-contact metal deposition process. Quantum confinement effects, prominent within Quasi-1D NWs, exert significant constraints on radial transport, consequently inducing a noticeable impact on contact resistance. Notably, in the radial direction, electron tunneling occurs only through quantized, discrete energy levels. Conversely, along the axial direction, electron tunneling freely traverses continuous energy levels. In a meticulous numerical analysis, these disparities in transport mechanisms unveiled that NWs with diameters below 30 nm exhibit a markedly higher radial contact resistance compared to their axial counterparts. Furthermore, an increase in the overlap length (less than 5 nm) contributes to a modest reduction in radial resistance; however, it remains consistently higher than the axial contact resistance.

Stability of long-sustained oscillations induced by electron tunneling

Stability of long-sustained oscillations induced by electron tunneling

InGaAs/Si PIN photodetector with low interfacial recombination rates realized by wafer bonding with a polycrystalline Si interlayer

In this Letter, we proposed a robust InGaAs/Si bonded heterojunction by polycrystalline Si (poly-Si) and amorphous interlayers. The ultra-thin amorphous layer is induced through Ar plasma treatment. The synergism of poly-Si and amorphous interlayers effectively blocks the lattice mismatch and releases the interfacial thermal stress. A bubble- and defect-free bonding interface is achieved even if after annealing at 500 °C, demonstrating compatibility with high-temperature processes. The heavily doped poly-Si interlayer sweeps the electric field from the poly-Si layer and concentrates in the amorphous layer, rendering electron tunneling through the bonding interface and reducing the interfacial recombination rates. As a result, the bonded InGaAs/Si PIN photodetector harvests a saturated and low dark density of 0.26 mA/cm2 at −1 V and a high rectification ratio of 3.5 × 105 at ±1 V. Additionally, the non-optimized device achieves a high responsivity of 0.82 A/W at 1550 nm. These results indicate that the proposed bonding strategy provides a viable route to tackle the electronic, optical, and thermal barriers of integrating single-crystal InGaAs into Si platforms. This enables the photodetection of InGaAs/Si devices with a high signal-to-noise ratio.

A multiscale modeling framework for predicting strain‐dependent electrical conductivity of carbon nanotube‐incorporated nanocomposites considering the electron tunneling effect

AbstractThe present work proposes a multiscale modeling framework for predicting the strain‐dependent electrical conductivity of carbon nanotube (CNT)‐incorporated nanocomposites considering the electron tunneling effect. A micromechanical model taking into account the waviness of the CNTs is utilized and molecular dynamics simulations estimating changes in distance between CNTs in the polymer matrix are conducted in an attempt to incorporate the electron tunneling effect. A series of numerical parametric studies are carried out to examine the influence of model parameters (e.g., CNT length, number of CNT segments, and intrinsic interfacial resistivity) on the strain‐dependent electrical conductivity of the nanocomposites. In addition, CNT/polydimethylsiloxane samples are fabricated and their strain‐dependent electrical conductivity is experimentally evaluated. Finally, to verify the predictive capability of the proposed modeling framework, the present predictions are compared with experimental results.Highlights A multiscale modeling framework of CNT‐incorporated nanocomposites is proposed. A micromechanics model and molecular dynamics simulations are used. The study includes a numerical parametric investigation. The present predictions are compared with those obtained experimentally.

Design and analysis of hetero-dielectric Junctionless-TFET(JL-TFET) with N+ pocket as label free biosensors

This paper includes sensitivity assessment of label-free biosensors using hetero dielectric Junctionless-TFET (HD-JL-TFET) thorough TCAD simulator. The fundamental structure, operation and design of a Junctionless-TFET (HD-JL-TFET) as biosensor are investigated in this paper. For the purpose of detecting the biomolecule, a nano-gap is added close to the source end between the gate and channel. To test the sensing potential, we adjusted the charge density and material dielectric constant (K) by comprehensive calibrated device simulation. For several biomolecules, the device’s sensitivity was examined as surface potential, electron tunnelling rate, and conduction-valence band edge fluctuation. Additionally, the Id versus VGS features, the sensitivity to the drain current, and the ION/IOFF fluctuation are also examined. By contrasting neutral or charged biomolecules using various dielectric constants, the sensitivity characteristics of positive, negative, and neutral biomolecules are examined. The development of biosensors, which enable the rapid and precise detection of multiple biomolecules, has revolutionized the field of bioanalysis.

Photo-Induced Charge State Dynamics of the Neutral and Negatively Charged Silicon Vacancy Centers in Room-Temperature Diamond.

The silicon vacancy (SiV) center in diamond is drawing much attention due to its optical and spin properties, attractive for quantum information processing and sensing. Comparatively little is known, however, about the dynamics governing SiV charge state interconversion mainly due to challenges associated with generating, stabilizing, and characterizing all possible charge states, particularly at room temperature. Here, multi-color confocal microscopy and density functional theory are used to examine photo-induced SiV recombination - from neutral, to single-, to double-negatively charged - over a broad spectral window in chemical-vapor-deposition (CVD) diamond under ambient conditions. For the SiV0 to SiV- transition, a linear growth of the photo-recombination rate with laser power at all observed wavelengths is found, a hallmark of single photon dynamics. Laser excitation of SiV‒, on the other hand, yields only fractional recombination into SiV2‒, a finding that is interpreted in terms of a photo-activated electron tunneling process from proximal nitrogen atoms.

Innovative enhancement of electron tunneling synergy in carbon-doped Ta2O5[sbnd]CuO photocatalyst with nematic liquid crystal for safe drinking water

This study focuses on enhancing the photocatalytic properties of carbon-doped Ta2O5CuO (C-Ta2O5CuO) nanocomposites for drinking water purification. The nanocomposites were fabricated by depositing C-Ta2O5CuO onto Nematic Liquid Crystal Polaroid (NLCP) obtained from a discarded laptop monitor, employing the sputter deposition method. The X-ray diffraction (XRD) and High-resolution transmission electron microscopy (HRTEM) determined the nanocomposite thin films' crystallinity and structural properties. The EDX and XPS analyses confirmed the elemental composition and reality of the Cu-incorporated Ta2O5 nanocomposites, respectively. The combination of electron tunneling enhancement provided by the NLCP and graphitic carbon led to exceptional photocatalytic performance. This was particularly evident in the efficient degradation of P-Rosaniline Hydrochloride (PRH) dye in an aqueous medium. C-Ta2O5CuO catalytic activities were estimated at various dye concentrations, repeatability, reusability with time, and kinetics. Coating's stability and long-term activity in photocatalysis reactions were also tested. Additionally, Cu present in the C-Ta2O5CuO and ˙OH radicals exhibited remarkable bactericidal activity. They displayed significant antibacterial efficacy against both gram-positive Escherichia coli (E. coli) and gram-negative Staphylococcus aureus (S. aureus) bacteria. These findings have significant implications for the development of advanced materials with potent photocatalytic and antibacterial properties, holding promise for improving drinking water quality and addressing environmental and health challenges.

The complexities of ligand/receptor interactions: Exploring the role of molecular vibrations and quantum tunnelling.

Molecular vibrations and quantum tunneling may link ligand binding to the function of pharmacological receptors. The well-established lock-and-key model explains a ligand's binding and recognition by a receptor; however, a general mechanism by which receptors translate binding into activation, inactivation, or modulation remains elusive. The Vibration Theory of Olfaction was proposed in the 1930s to explain this subset of receptor-mediated phenomena by correlating odorant molecular vibrations to smell, but a mechanism was lacking. In the 1990s, inelastic electron tunneling was proposed as a plausible mechanism for translating molecular vibration to odorant physiology. More recently, studies of ligands' vibrational spectra and the use of deuterated ligand analogs have provided helpful information to study this admittedly controversial hypothesis in metabotropic receptors other than olfactory receptors. In the present work, based in part on published experiments from our laboratory using planarians as an experimental organism, I will present a rationale and possible experimental approach for extending this idea to ligand-gated ion channels.