Dipole Layer Research Articles

Enhancing Extraction and Suppressing Cooling of Hot Electrons in Lead Halide Perovskites by Dipolar Surface Passivation.

Slowing hot carrier (HC) cooling and improving HC extraction are considered two pivotal factors for enhancing power conversion efficiency in emerging HC photovoltaic applications of perovskites and other materials. Employing ab initio quantum dynamics simulations, we demonstrate the simultaneous slow cooling and efficient extraction of hot electrons at the C60/CsPbI3 interface through dipolar surface passivation with phenethylammonium and 4-fluorophenethylammonium ligands. The passivation effectively suppresses I-Pb lattice vibrations, weakens the hot electron-phonon interaction in CsPbI3, and thus slows down the HC cooling. At the same time, the dipolar surface passivation elevates the LUMO + 1 state in C60 and reduces the energy gap for HC extraction. Concurrently, higher-frequency vibrations of the dipolar layer enhance the coupling between C60 and CsPbI3, promoting efficient HC extraction further. These phenomena are intensified with increased polarity of the dipolar layer. Furthermore, we find that dipolar passivation has the opposite influence on cold electron collection at the band edge, underscoring the fact that the observed improvement in photovoltaic performance stems preferentially from the effective utilization of HCs rather than cold electrons. The work provides a new strategy for achieving high-performance HC perovskite solar cells.

Bilayer interface engineering through 2D/3D perovskite and surface dipole for inverted perovskite solar modules

The persistency of passivation and scalable uniformity are vital issues that limit the improvement of performance and stability of large-area perovskite solar modules (PSMs). Here, we design a bilayer interface engineering strategy that takes advantage of the stability and passivation ability of low-dimensional perovskite and the dipole layer. Introducing phenethylammonium iodide (PEAI) can form 2D/3D heterojunctions on the perovskite surface and effectively passivate defects of perovskite film. Interestingly, the upper piperazinium iodide (PI) layer can still form surface dipoles on the 2D/3D perovskite surface to optimize energy-level alignment. Moreover, the bilayer interface engineering enables large-area perovskite films with uniform surface morphology, lower trap-state density and stability against environmental stress factors. The final devices achieved a small-area PCE of 25.20% and a large-area (1 cm2) PCE of 23.96%. A perovskite mini-module (5 × 5 cm2 with an active area of 14.28 cm2) could also be fabricated to achieve a PCE of 23.19%, ranking it among the highest for inverted PSMs. Additionally, the device could retain over 93% of its initial efficiency after MPP tracking at 45 °C for 1280 hours. This study successfully demonstrates a bilayer interface engineering with respective functions, offering valuable insights for producing efficient and stable large-area PSCs.

Largely‐Tuned Effective Work‐Function of Al/Graphene/SiO2/Si Junction with Electric Dipole Layer at Al/Graphene Interface

AbstractThe effective work‐function of metal electrode is one of the major factors to determine the threshold voltage of metal/oxide/semiconductor junction. In this work, it is demonstrated experimentally that the effective work‐function of the Aluminum (Al) electrode in Al/SiO2/n‐Si junction increases significantly by ≈1.04 eV with the graphene interlayer inserted at Al/SiO2 interface. The device‐physical analysis of solving Poisson equation analytically is provided when the flat‐band voltage is applied to the junction, supporting that the large tuning of Al effective work‐function may originate from the electric dipole layer formed by the off‐centric distribution of electron orbitals between Al and graphene layer. Our work suggests the feasibility of constructing the dual‐metal gate CMOS circuitry just by using Al electrodes with area‐specific underlying graphene interlayer.

High Open-Circuit Voltage Wide-Bandgap Perovskite Solar Cell with Interface Dipole Layer.

Wide-bandgap perovskite solar cells (PSCs) with high open-circuit voltage (Voc) represent a compelling and emerging technological advancement in high-performing perovskite-based tandem solar cells. Interfacial engineering is an effective strategy to enhance Voc in PSCs by tailoring the energy level alignments between the constituent layers. Herein, n-type quinoxaline-phosphine oxide-based small molecules with strong dipole moments is designed and introduce them as effective cathode interfacial layers. Their strong dipole effect leads to appropriate energy level alignment by tuning the work function of the Ag electrode to form an ohmic contact and enhance the built-in potential within the device, thereby improving charge-carrier transport and mitigating charge recombination. The organic interfacial layer-modified wide-bandgap PSCs exhibit a high Voc of 1.31V (deficit of <0.44V) and a power conversion efficiency (PCE) of 20.3%, significantly improved from the device without an interface dipole layer (Voc of 1.26V and PCE of 16.7%). Furthermore, the hydrophobic characteristics of the small molecules contribute to improved device stability, retaining 95% of the initial PCE after 500h in ambient air.

(Invited) Consideration on Gate Stack Formation Processes of Ultrawide Bandgap Ga2O3 with SiO2 Dielectric Layer

MOSFETs on β-Ga2O3 are expected to be a high-efficient and cost-effective alternative option of high-voltage power devices. Taking account of the reliability and the large conduction-band offset against β-Ga2O3, it would be reasonable to employ SiO2 as the gate dieletric. In this study we investigated the effects of post-deposition annealing (PDA) on SiO2/β-Ga2O3 MOS gate stacks, in terms of the MOS electrical characteristics and the band alignment.β-Ga2O3 (001) wafers with ~2×1016 cm-3 n-type doped epitaxial layers were cleaned in diluted HF solution, and SiO2 films were deposited by electron-beam (EB) evaporation of Si in O2 ambient of ~1×10-2 Pa, followed by PDA at various temperatures from 600 to 1000℃ in either O2 or N2 ambient. Au was evaporated as gate electrode to form MOS capacitors. X-ray photoelectron spectroscopy (XPS) was conducted on the stacks with ~3nm-thick SiO2 for the evaluation of band alignment. Ultraviolet photoelectron spectroscopy (UPS) was also employed to determine the band diagram of β-Ga2O3 (001).Nearly-ideal capacitance-voltage characteristics were obtained for the MOS capacitor fabricated with O2-PDA at 1000℃. The interface state density (Dit) determined by conductance method decreased down to ~1010 cm-3 at the energy level of EC−0.2 eV by PDA at higher temperature. The hysteresis width (ΔVhys) of C-V curves was smaller for the samples annealed at higher temperatures. The flatband voltage (VFB) shift after O2-PDA resulted in VFB close to the ideal value estimated from the physical properties of Au and Ga2O3, suggesting that fixed charge density at the interface would be minimized. However, PDA in N2 at 1000℃ resulted in a negative shift of VFB, which indicates the formation of positive fixed charges in the stack. The beneficial influences of O2-PDA on those characteristics suggest that an oxygen deficiency introduced near the interface is one of the origins of interface defect states. It is noteworthy that Ga3d XPS on the surface of Ga2O3 substrate always shows a tailing in lower binding energy side, which is indicating oxygen deficiency on the surface. The intensity of this lower-binding-energy component reduced significantly when a bare-Ga2O3 substate was annealed in O2, however, it did not decrease efficiently even after O2-PDA when the surface was covered with SiO2. This is probably due to the oxygen rearrangement at SiO2/Ga2O3 interface determined by the difference of material properties of those oxides. This fact suggests that the Ga2O3 surface easily forms oxygen vacancies when it is covered with SiO2. This would be the reason why the formation of interface defect states is not suppressed without O2-PDA.Next the band diagram of β-Ga2O3 (001) substrate was investigated by UPS analysis where the energy level of valence band edge referring to the vacuum level was evaluted from the energy difference between minimum (cut-off) and maximum edges of the obtained kinetic energy spectra of photoelectrons. As a result we found the valence band edge of of β-Ga2O3 (001) was ~8.2 eV below the vacuum level, where the influences of O2 annealing at 1000℃ on the valence band edge energy level was limited to the shift within ~0.1eV. This would tell us the valence band offset between SiO2 and Ga2O3 should be around ~1.1eV, and the conduction band offset between them is to be around 2.8-2.9eV, by taking account of the well-reported SiO2 band diagram and assuming the bandgap of β-Ga2O3 as 4.7eV. On the other hand, the valence band offset estimated from the deconvolution of the XPS valence band spectrum for a ~3nm-thick SiO2/β-Ga2O3 stack from the energy edge difference between the deconvoluted spectra corresponding to SiO2 and Ga2O3, was a few hundreds of mV smaller than the above expected value (~1.1eV). This discrepancy is indicating the formation of an interface dipole layer between SiO2 and Ga2O3 with a pair of nagative and positive charges aligned at the interface to cause a shift in the band alignment. The magnitude of such dipole was indicated to be more significant (~0.5eV) for the stack after PDA at 1000℃, whereas it was less (0.2~0.3eV) after PDA at 600℃.In conclusion, we demonstrated that SiO2/β-Ga2O3 (001) MOS capacitors showed nearly-ideal electrical characteristics with significantly reduced interface defect density and small fixed charge density by applying O2-PDA. The band alignment of SiO2/β-Ga2O3 (001) MOS stack was clarified by photoelectron spectroscopy to confirm a very large conduction band offset of the stack, but an influence of the formation of interface dipole layer between SiO2 and Ga2O3 on the band alighment was also indicated.

Surface Molecular Engineering for Fully Textured Perovskite/Silicon Tandem Solar Cells.

Developing large-scale monolithic perovskite/silicon tandem devices based on industrial Czochralski silicon wafers will likely have to adopt double-side textured architecture, given their optical benefits and low manufacturing costs. However, the surface engineering strategies that are widely used in solution-processed perovskites to regulate the interface properties are not directly applicable to micrometric textures. Here, we devise a surface passivation strategy by dynamic spray coating (DSC) fluorinated thiophenethylammonium ligands, combining the advantages of providing conformal coverage and suppressing phase conversion on textured surfaces. From the viewpoint of molecular engineering, theoretical calculation and experimental results demonstrate that introducing trifluoromethyl group provide more effective surface passivation through strong interaction and energy alignment by forming a dipole layer. Consequently, the DSC treatment of this bifunctional molecule enables the tandem cells based on industrial silicon wafers to achieve a certified stabilized power conversion efficiency of 30.89 %. In addition, encapsulated devices display excellent operational stability by retaining over 97 % of their initial performance after 600 h continuous illumination.

Impact of Solvent Electrostatic Environment on Molecular Junctions Probed via Electrochemical Impedance Spectroscopy.

The electrostatic environment around nanoscale molecular junctions modulates charge transport; solvents alter this environment. Methods to directly probe solvent effects require correlating measurements of the local electrostatic environment with charge transport across the metal-molecule-metal junction. Here, we measure the conductance and current-voltage characteristics of molecular wires using a scanning tunneling microscope-break junction (STM-BJ) setup in two commonly used solvents. Our results show that the solvent environment induces shifts in molecular conductance, which we quantify, but more importantly we find that the solvent also impacts the magnitude of current rectification in molecular junctions. By incorporating electrochemical impedance spectroscopy into the STM-BJ setup, we measure the capacitance of the dipole layer formed at the metal-solvent interface and show that rectification can be correlated with solvent capacitance. These results provide a method of quantifying the impact of the solvent environment and a path toward improved environmental control of molecular devices.

Inhibiting Interfacial Nonradiative Recombination in Inverted Perovskite Solar Cells with a Multifunctional Molecule.

Interface-induced nonradiative recombination losses at the perovskite/electron transport layer (ETL) are an impediment to improving the efficiency and stability of inverted (p-i-n) perovskite solar cells (PSCs). Tridecafluorohexane-1-sulfonic acid potassium (TFHSP) is employed as a multifunctional dipole molecule to modify the perovskite surface. The solid coordination and hydrogen bonding efficiently passivate the surface defects, thereby reducing nonradiative recombination. The induced positive dipole layer between the perovskite and ETLs improves the energy band alignment, enhancing interface charge extraction. Additionally, the strong interaction between TFHSP and the perovskite stabilizes the perovskite surface, while the hydrophobic fluorinated moieties prevent the ingress of water and oxygen, enhancing the device stability. The resultant devices achievea power conversion efficiency (PCE) of 24.6%. The unencapsulated devices retain91% of their initial efficiency after 1000 h in air with 60% relative humidity, and 95% after 500 h under maximum power point (MPP) tracking at 35°C. The utilization of multifunctional dipole molecules opens new avenues for high-performance and long-term stable perovskite devices.

Simultaneous electric dipoles and flat-band voltage modulation in 4H-SiC MOS capacitors through HfO2/SiO2 interface engineering

We report an approach to simultaneously tune the electric dipoles and flat-band voltage (V FB) of 4H-silicon carbide (SiC) metal-oxide-semiconductor (MOS) capacitors through high-k oxide dielectric interface engineering. With an additional HfO2 thin layer on atomic layer deposition (ALD) of SiO2 film, a dipole layer was formed at the HfO2/SiO2 interface, leading to a small positive shift of the V FB of 0.3 V in 4H-SiC MOS capacitors. The Kelvin probe method was used to examine the dipole layers induced at the direct-contact oxide/4H-SiC interfaces. It was found that a minor difference of 0.3 V in the contact potential difference (V CPD) is observed between the SiO2/4H-SiC and HfO2/SiO2/4H-SiC stacks, which signifies the presence of a weak interface dipole layer at the interface of HfO2 and SiO2. Additionally, investigation of the interface state density reveals that ALD of the HfO2 process had a negligible impact on the quality of the SiO2/4H-SiC interface, suggesting that the observed small positive V FB shift originated from the HfO2/SiO2 interface rather than the SiO2/4H-SiC interface.

Fabrication of Efficient and Simple-Structured Perovskite Solar Cells Using a Multifunctional Biocolina Surface Treatment.

The electron transport layer (ETL)-free perovskite solar cells (PSCs) have gained significant interest by simplifying the manufacture process and reducing the time/energy required for the fabrication of ETLs. Unfortunately, the performance of these ETL-free PSCs still lags behind those of the conventional counterparts due to the slow electron extraction and undesired interfacial charge recombination loss at the buried interface. In this work, a facile and multifunctional biocolina thin layer is incorporated on the bottom electrodes to regulate the interface energy level alignment by forming an interface dipole layer, resulting in a suppressed nonradiative recombination and an improved charge extraction. Furthermore, the biocolina thin layer possess the capability to passivate the surface defects within the perovskite films while simultaneously facilitate the formation of perovskite crystals. Consequently, a remarkable enhancement in photovoltaic performance is observed in the biocolina-based ETL-free PSCs with an increase from 15.96 % to an outstanding 20.01 %. Additionally, the biocolina extends the stability and relieves the hysteresis effect through the interface defect passivation and inhibition of interface charge accumulation. This research contributes to the development of cost-effective, simplified designs for highly efficient ETL-free PSCs by modifying the bottom electrodes.

Hysteresis loops on voltage-current characteristics and optical responses of PEDOT:PSS/ZnO nanorods/ZnO:Ga heterostructure

Volage (V)-current (I) curves of the poly (3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS)/ZnO nanorods (NRs)/ZnO:Ga (GZO) heterostructure exhibited a rectification behavior with hysteresis loops both in forward voltage (VF) and reverse voltage (VR) regions. The ultraviolet (UV) light irradiation of 360 nm led to the increase in the reverse current (IR), i.e. generation of photocurrent (PC), and the decrease in the hysteresis loop area in the VF region. In dark, the 1/V vs. ln (I/V2) plot revealed that the dominant carrier transport mechanisms in the low- and the high-VF regions are the direct tunneling and the Fowler-Nordheim (F-N) tunneling through the dipole layer formed at the interface between the PEDOT:PSS and ZnO NRs layers, respectively. On the contrary, the carrier transport in the middle-VF region in dark was dominated by the bulk-limited mechanisms, such as the space-charge-limited (SCL) conduction controlled by the single shallow traps, the trap-free SCL conduction, and the trap-filled-limit conduction controlled by the traps with Gaussian distribution. The UV light irradiation changed the carrier transport mechanism in the middle-VF region to the trap-free SCL conduction. The resistive switching related to the hysteresis loop was found to be caused by the trapping and detrapping of the injected carriers at the traps. In dark, the maximum forward current was increased by the repetition of the VF sweep of 0 V → 5 V → 0 V, but decreased by the repetition of the VR sweep of 0 V → -5V → 0 V, indicating the possibility of the resistive memory. At the low VRs, PC spectra showed a main peak at 350 nm, which is corresponding to slightly higher photon energy than the bandgap energy of ZnO. Moreover, the existence of the tail extending into the bandgap was also observed on the PC spectra. From the time response of PC, the depth of the trap state was estimated to be 0.64–0.77 eV.

Revealing the Influence of Electron Migration Inside Polymer Electrolyte on Li+ Transport and Interphase Reconfiguration for Li Metal Batteries

AbstractThe development of highly producible and interfacial compatible in situ polymerized electrolytes for solid‐state lithium metal batteries (SSLMBs) have been plagued by insufficient transport kinetics and uncontrollable dendrite propagation. Herein, we seek to explore a rationally designed nanofiber architecture to balance all the criteria of SSLMBs, in which La0.6Sr0.4CoO3−δ (LSC) enriched with high valence‐state Co species and oxygen vacancies is developed as electronically conductive nanofillers embedded within ZnO/Zn3N2‐functionalized polyimide (Zn‐PI) nanofiber framework for the first time, to establish Li+ transport highways for poly vinylene carbonate (PVC) electrolyte and eliminate nonuniform Li deposits. Revealed by characterization and theoretical calculation under electric field, the positive‐negative electrical dipole layer in LSC derived from electron migration between Co and O atoms aids in accelerating Li+ diffusion kinetics through densified electric field around filler particle, featuring a remarkable ionic conductivity of 1.50 mS cm−1 at 25 °C and a high Li+ transference number of 0.91 without the risk of electron leakage. Integrating with the preferential sacrifice of ZnO/Zn3N2 on PI nanofiber upon immediate detection of dendritic Li, which takes part in reconfiguring hierarchical SEI chemistry dominated by LixNy/Li−Zn alloy inner layer and LiF outer layer, SSLMBs are further endowed with prolonged cycling lifespan and exceptional rate capability.

Revealing the Influence of Electron Migration Inside Polymer Electrolyte on Li+ Transport and Interphase Reconfiguration for Li Metal Batteries.

The development of highly producible and interfacial compatible in situ polymerized electrolytes for solid-state lithium metal batteries (SSLMBs) have been plagued by insufficient transport kinetics and uncontrollable dendrite propagation. Herein, we seek to explore a rationally designed nanofiber architecture to balance all the criteria of SSLMBs, in which La0.6Sr0.4CoO3-δ (LSC) enriched with high valence-state Co species and oxygen vacancies is developed as electronically conductive nanofillers embedded within ZnO/Zn3N2-functionalized polyimide (Zn-PI) nanofiber framework for the first time, to establish Li+ transport highways for poly vinylene carbonate (PVC) electrolyte and eliminate nonuniform Li deposits. Revealed by characterization and theoretical calculation under electric field, the positive-negative electrical dipole layer in LSC derived from electron migration between Co and O atoms aids in accelerating Li+ diffusion kinetics through densified electric field around filler particle, featuring a remarkable ionic conductivity of 1.50 mS cm-1 at 25 °C and a high Li+ transference number of 0.91 without the risk of electron leakage. Integrating with the preferential sacrifice of ZnO/Zn3N2 on PI nanofiber upon immediate detection of dendritic Li, which takes part in reconfiguring hierarchical SEI chemistry dominated by LixNy/Li-Zn alloy inner layer and LiF outer layer, SSLMBs are further endowed with prolonged cycling lifespan and exceptional rate capability.

Density functional model of threshold voltage shifts at High-K/Metal gates

A density functional analysis of oxide dipole layers used to set the threshold voltages in high-K/metal CMOS gate stacks is given in terms of the band alignments and chemical trends of these component oxide layers. The oxides SrO, La2O3, HfO2 and Al2O3 are found to have similar band gaps and form a ‘staircase’ of band alignments, allowing them to shift the metal electrode Fermi level in both n-type and p-type directions. This analysis supersedes previous largely empirical models based on metal oxide ion densities or electronegativity scales.

Efficient Charge Transport in Inverted Perovskite Solar Cells via 2D/3D Ferroelectric Heterojunction.

While the 2D/3D heterojunction is an effective method to improve the power conversion efficiency (PCE) of perovskite solar cells (PSCs), carriers are often confined in the quantum wells (QWs) due to the unique structure of 2D perovskite, which makes the charge transport along the out-of-plane direction difficult. Here, a 2D/3D ferroelectric heterojunction formed by 4,4-difluoropiperidine hydrochloride (2FPD) in inverted PSCs is reported. The enriched 2D perovskite (2FPD)2PbI4 layer with n = 1 on the perovskite surface exhibits ferroelectric response and has oriented dipoles along the out-of-plane direction. The ferroelectricity of the oriented dipole layer facilitates the enhancement of the built-in electric field (1.06 V) and the delay of the cooling process of hot carriers, reflected in the high carrier temperature (above 1400 K) and the prolonged photobleach recovery time (139.85 fs, measured at bandgap), improving the out-of-plane conductivity. In addition, the alignment of energy levels is optimized and exciton binding energy (32.8 meV) is reduced by changing the dielectric environment of the surface. Finally, the 2FPD-treated PSCs achieve a PCE of 24.82% (certified: 24.38%) with the synergistic effect of ferroelectricity and defect passivation, while maintaining over 90% of their initial efficiency after 1000 h of maximum power point tracking.

Robust Dipolar Layers between Organic Semiconductors and Silver for Energy-Level Alignment.

The interface between a metal electrode and an organic semiconductor (OS) layer has a defining role in the properties of the resulting device. To obtain the desired performance, interlayers are introduced to modify the adhesion and growth of OS and enhance the efficiency of charge transport through the interface. However, the employed interlayers face common challenges, including a lack of electric dipoles to tune the mutual position of energy levels, being too thick for efficient electronic transport, or being prone to intermixing with subsequently deposited OS layers. Here, we show that monolayers of 1,3,5-tris(4-carboxyphenyl)benzene (BTB) with fully deprotonated carboxyl groups on silver substrates form a compact layer resistant to intermixing while capable of mediating energy-level alignment and showing a large insensitivity to substrate termination. Employing a combination of surface-sensitive techniques, i.e., low-energy electron microscopy and diffraction, X-ray photoelectron spectroscopy, and scanning tunneling microscopy, we have comprehensively characterized the compact layer and proven its robustness against mixing with the subsequently deposited organic semiconductor layer. Density functional theory calculations show that the robustness arises from a strong interaction of carboxylate groups with the Ag surface, and thus, the BTB in the first layer is energetically favored. Synchrotron radiation photoelectron spectroscopy shows that this layer displays considerable electrical dipoles that can be utilized for work function engineering and electronic alignment of molecular frontier orbitals with respect to the substrate Fermi level. Our work thus provides a widely applicable molecular interlayer and general insights necessary for engineering of charge injection layers for efficient organic electronics.

First Principle Study on Schottky Barrier at Ni/Graphene/4H-SiC Interface

High stability 4H-SiC ohmic contact is currently a key technical challenge that silicon carbide devices urgently need to overcome. It is important to reduce the Schottky barrier height (SBH) at the Ni/4H-SiC interface to optimize ohmic contact. In this paper, the mechanisms of graphene layer changing Ni/4H-SiC interface Schottky barrier height (SBH) are studied based on the first-principles method within the local density approximation. Theoretical studies have shown that graphene intercalation can reduce the SBH of Ni and 4H-SiC interfaces. The reason of SBH reduction may be that the graphene C atoms saturate the dangling bonds on the 4H-SiC surface and the influence of the metal-induced energy gap state at the interface is reduced. In addition, the new phase formed at the interface of graphene and silicon carbide has a lower work function. Furthermore, an interfacial electric dipole layer may be formed at the 4H-SiC/graphene interface which may also reduce the SBH. These results make them to be promising candidates for future radiation resistant electronics.

Recent Advancements in Enhancing Interfacial Charge Transport for Perovskite Solar Cells

Finding the most suitable pathways to improve the interfacial charge transportation in lead halide perovskite solar cells is a highly desirable research area to enhance device performance and enable commercialization. The complexities of interfacial charge dynamics, encompassing separation, diffusion, and collection processes, pivot on the thoughtful selection of interlayers and their inherent properties. Challenges arise from nonideal interfaces characterized by mismatched energy levels and defects that hinder efficient charge transport. To address these concerns, implementing tailored interfacial engineering strategies, including interlayer modification, band alignments, and passivation techniques, can help mitigate unwanted nonradiative recombination. This review aims to elucidate the impact of trap states on suppressing charge transport in the device, along with subsequent passivation techniques designed to enhance interfacial charge transport. Following that, a comprehensive overview is presented, highlighting recent advancements in interface engineering techniques that improve interfacial properties between the electron transport layer/perovskite and perovskite/hole transport layer. Significantly, the impact of using buffer and dipole layers as interlayers on overall device performance and stability is investigated.

A proof of concept for reliability aware analysis of junctionless negative capacitance FinFET-based hydrogen sensor

This work demonstrates the reliability-aware analysis of the Junctionless negative capacitance (NC) FinFET employed as a hydrogen (H2) gas sensor. Gate stacking of the ferroelectric (FE) layer induces internal voltage amplification owing to the NC property, thus, improving the sensitivity of the baseline junctionless FinFET. A well-calibrated TCAD model is used to investigate the sensing characteristics of the proposed FinFET-based H2 sensor by employing the palladium (Pd) metallic gate as a sensing element. The mechanism involves the transduction of H2 gas molecules over the metal gate; due to the diffusion process, some atomic hydrogen diffuses into the metal. The H2 gas absorption at the metal surface causes a dipole layer formation at the gate and oxide interface, which changes the metal gate work function. As a result, this change in the work function can be used as a sensing parameter of the proposed gas sensor. Further, the threshold voltage and other electrical characteristics, such as output conductance, transconductance, and drain current are examined for sensitivity analysis for both NC and without NC JL FinFET at different pressure ranges, keeping the temperature constant (i.e. 300 K). The device variation, i.e. Fin thickness, Fin height, doping and thickness of HfO2 ferroelectric layer, etc, on sensor sensitivity has been evaluated through extensive simulation. This paper also presents a detailed investigation of the sensor’s reliability in terms of work function variation, random dopant fluctuation, trap charges, and device aging, i.e. end of a lifetime. At last, the acquired results are compared with earlier reported data, which justifies the profound significance of the proposed junctionless negative capacitance FinFET-based H2 gas sensor.

Unsolved problem of long-range interactions: dipolar spin-ice study

Long-range interactions derive various strange phenomena. As illustrated by cutoff simulations of water, increasing cutoff length does not improve the simulation result necessarily; on the contrary, it makes the result worse. In the extreme situation, the structure of water transforms into a layer structure. In this study, to explore the underlying mechanism of this phenomenon, we performed Monte Carlo simulations on dipolar spins arranged on a pyrochlore spin-ice lattice. Like the water case, the present dipolar spin system also showed cutoff-induced dipole ordering and layer formation. The width of the layers depended on the cutoff length; and longer cutoff length led to a broader layer. These features are certainly consistent with the previous water case. This indicates that layer formation is the general behavior of dipolar systems whose interactions are truncated within a finite distance. The result is important for future exploration of the relationship between long-range interactions and resulting structures. In addition, it emphasizes the necessity of rigorous treatment of long-range interactions because increasing the cutoff length prevents convergence and provides an entirely different result from the rigorous Ewald calculation.