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Atomically thin monolayer (ML) GeSb 2 Te 4 (GST) holds promising prospects in non-volatile memory applications because of its high non-homogeneous crystallization rate. In GST-based devices, the interaction between GST and metals is crucial, as it affects the electronic properties. Herein, based on first-principles calculations, we investigate the interaction and Schottky barrier height of contacts formed by the combination of ML GST with various metals. It is found that the interfaces of GST with Pt, Pd, Ir and W exhibit strong interaction, characterized by large binding energies ranging from 1.394 to 1.015 eV , and the interfaces between GST and Cu, Ag and Au display weak interaction. For the seven contacts, Ag and W form Ohmic contacts with ML GST, while Cu, Au, Pd, Ir, and Pt form n-type Schottky contacts, with Schottky barrier heights ranging from 0.029 to 0.353 eV . The strong Fermi level pinning at GST-metal interface is observed with a pinning factor of 0.378. Additionally, altering the interfacial distance and optimizing the layers of GST enable a transition from Ohmic contact to Schottky contact. These findings provide crucial guidance for the design and optimization of electronic devices based on phase change materials like GST. [ABSTRACT FROM AUTHOR]

High‐performing 2D electrical and optical devices can be realized by forming an ideal van der Waals (vdW) metal contact with weak interactions and stable interface states. However, the methods for applying metal contacts while avoiding damage from metal deposition present challenges in realizing a uniform, stable vdW interface. To overcome this problem, this study develops a method for forming vdW contacts using a sacrificial Se buffer layer. This study explores this method by investigating the difference in the Schottky barrier height between the vdW metal contact deposited using a buffer layer, a transferred metal contact, and a conventional directly deposited metal contact using rectification and photovoltaic characteristics of a Schottky diode structure with graphite. Evidently, the Se buffer layer method forms the most stable and ideal vdW contact while preventing Fermi‐level pinning. A tungsten diselenide Schottky diode fabricated using these vdW contacts with Au and graphite as the top and bottom electrodes, respectively, exhibits excellent operation with an ideality factor of ≈1, an on/off ratio of > 107, and coherent properties. Additionally, when using only the vdW Au contact, the electrical and optical properties of the device can be minutely modulated by changing the structure of the Schottky diode. [ABSTRACT FROM AUTHOR]

Silicon-based photodetectors are attractive as low-cost and environmentally friendly optical sensors. Also, their compatibility with complementary metal-oxide-semiconductor (CMOS) technology is advantageous for the development of silicon photonics systems. However, extending optical responsivity of silicon-based photodetectors to the mid-infrared (mid-IR) wavelength range remains challenging. In developing mid-IR infrared Schottky detectors, nanoscale metals are critical. Nonetheless, one key factor is the Fermi-level pinning effect at the metal/silicon interface and the presence of metal-induced gap states (MIGS). Here, we demonstrate the utilization of the passivated surface layer on semiconductor materials as an insulating material in metal-insulator-semiconductor (MIS) contacts to mitigate the Fermi-level pinning effect. The removal of Fermi-level pinning effectively reduces the Schottky barrier height by 12.5% to 16%. The demonstrated devices exhibit a high responsivity of up to 234 μA/W at a wavelength of 2 μm, 48.2 μA/W at 3 μm, and 1.75 μA/W at 6 μm. The corresponding detectivities at 2 and 3 μm are 1.17 × 108 cm Hz1/2 W−1 and 2.41 × 107 cm Hz1/2 W−1, respectively. The expanded sensing wavelength range contributes to the application development of future silicon photonics integration platforms. [ABSTRACT FROM AUTHOR]

A main challenge for the development of two‐dimensional devices based on atomically thin transition‐metal dichalcogenides (TMDs) is the realization of metal–semiconductor junctions (MSJs) with low contact resistance and high charge transport capability. However, traditional metal–TMD junctions usually suffer from strong Fermi‐level pinning (FLP) and chemical disorder at the interfaces, resulting in weak device performance and high energy consumption. By means of high‐throughput first‐principles calculations, we report an attractive solution via the formation of van der Waals (vdW) contacts between metallic and semiconducting TMDs. We apply a phase‐engineering strategy to create a monolayer TMD database for achieving a wide range of work functions and band gaps, hence offering a large degree of freedom to construct TMD vdW MSJs with desired contact types. The Schottky barrier heights and contact types of 728 MSJs have been identified and they exhibit weak FLP (−0.62 to −0.90) as compared with the traditional metal–TMD junctions. We find that the interfacial interactions of the MSJs bring a delicate competition between the FLP strength and carrier tunneling efficiency, which can be utilized to screen high‐performance MSJs. Based on a set of screening criteria, four potential TMD vdW MSJs (e.g., NiTe2/ZrSe2, NiTe2/PdSe2, HfTe2/PdTe2, TaSe2/MoTe2) with Ohmic contact, weak FLP, and high carrier tunneling probability have been predicted. This work not only provides a fundamental understanding of contact properties of TMD vdW MSJs but also renders their huge potential for electronics and optoelectronics. [ABSTRACT FROM AUTHOR]

Using silicon in multijunction photocells leads to promising device structures for direct photoelectrochemical water splitting. In this regard, photoelectron spectra of silicon surfaces are used to investigate the energetic condition of contact formation. It is shown that the Fermi‐level position at the surface differs from the values expected from their bulk doping concentrations, indicating significant surface band bending which may limit the overall device efficiency. In this study, the influence of different surface preparation procedures for p‐ and n‐doped Si wafers on surface band bending is investigated. With the help of photoemission and X‐ray absorption spectroscopy, Si dangling bonds are identified as dominating defect centers at Si surfaces. These defects lead to an occupied defect band in the lower half and an unoccupied defect band in the upper half of the Si bandgap. However, partial oxidation of the defect centers causes a shift of defect bands, with only donor states remaining in the Si bandgap. Source‐induced photovoltages at cryogenic temperatures indicate that partial surface oxidation also decreases the recombination activity of these defect centers. It is shown that defect distribution, defect concentration, and source‐induced photovoltages need to be considered when analyzing Fermi‐level pinning at Si surfaces. [ABSTRACT FROM AUTHOR]

Recently, 2D materials have been intensively investigated for their novel nanoelectronic applications; among these materials, tungsten diselenide (WSe2) is attracting substantial research interest due to its high mobility, sizable bandgap, and ambipolar characteristics. However, Fermi‐level pinning (FLP) at the metal–semiconductor contact is a critical issue preventing further integration of WSe2 to complementary metal–oxide–semiconductor (CMOS) technology. In this study, a facile doping method of oxygen (O2) plasma treatment and an aging effect to overcome the FLP of WSe2 field‐effect transistors (FETs) are utilized. After aging, a reduction is observed in FLP on oxidized WSe2 FETs, along with a decrease in pinning factor (S) for holes from −0.06 to −0.36. Further, the field‐effect mobility of high‐ (Pd) and low‐ (In) work‐function contacted WSe2 devices indicates the presence of more improvement in high‐work‐function metal‐contacted p‐type WSe2 FETs, which further strengthens the Fermi level de‐pinning behavior attributed to the O2 plasma and aging processes. The existence of different tunneling behaviors of Pd and In devices also confirms the effect of O2 plasma doping into WSe2 FETs. Ultimately, this work demonstrates a simple and efficient method for achieving the de‐pinning of Fermi‐levels and modulating FLP of 2D FETs. [ABSTRACT FROM AUTHOR]

Abstract A main challenge for the development of two‐dimensional devices based on atomically thin transition‐metal dichalcogenides (TMDs) is the realization of metal–semiconductor junctions (MSJs) with low contact resistance and high charge transport capability. However, traditional metal–TMD junctions usually suffer from strong Fermi‐level pinning (FLP) and chemical disorder at the interfaces, resulting in weak device performance and high energy consumption. By means of high‐throughput first‐principles calculations, we report an attractive solution via the formation of van der Waals (vdW) contacts between metallic and semiconducting TMDs. We apply a phase‐engineering strategy to create a monolayer TMD database for achieving a wide range of work functions and band gaps, hence offering a large degree of freedom to construct TMD vdW MSJs with desired contact types. The Schottky barrier heights and contact types of 728 MSJs have been identified and they exhibit weak FLP (−0.62 to −0.90) as compared with the traditional metal–TMD junctions. We find that the interfacial interactions of the MSJs bring a delicate competition between the FLP strength and carrier tunneling efficiency, which can be utilized to screen high‐performance MSJs. Based on a set of screening criteria, four potential TMD vdW MSJs (e.g., NiTe2/ZrSe2, NiTe2/PdSe2, HfTe2/PdTe2, TaSe2/MoTe2) with Ohmic contact, weak FLP, and high carrier tunneling probability have been predicted. This work not only provides a fundamental understanding of contact properties of TMD vdW MSJs but also renders their huge potential for electronics and optoelectronics.

Abstract Recently, 2D materials have been intensively investigated for their novel nanoelectronic applications; among these materials, tungsten diselenide (WSe2) is attracting substantial research interest due to its high mobility, sizable bandgap, and ambipolar characteristics. However, Fermi‐level pinning (FLP) at the metal–semiconductor contact is a critical issue preventing further integration of WSe2 to complementary metal–oxide–semiconductor (CMOS) technology. In this study, a facile doping method of oxygen (O2) plasma treatment and an aging effect to overcome the FLP of WSe2 field‐effect transistors (FETs) are utilized. After aging, a reduction is observed in FLP on oxidized WSe2 FETs, along with a decrease in pinning factor (S) for holes from −0.06 to −0.36. Further, the field‐effect mobility of high‐ (Pd) and low‐ (In) work‐function contacted WSe2 devices indicates the presence of more improvement in high‐work‐function metal‐contacted p‐type WSe2 FETs, which further strengthens the Fermi level de‐pinning behavior attributed to the O2 plasma and aging processes. The existence of different tunneling behaviors of Pd and In devices also confirms the effect of O2 plasma doping into WSe2 FETs. Ultimately, this work demonstrates a simple and efficient method for achieving the de‐pinning of Fermi‐levels and modulating FLP of 2D FETs.

Transparent, flexible, and chemically stable conducting electrodes are the most important key components for fabricating optoelectronic devices. However, in conventional bulk metal–semiconductor (MS) junctions, Fermi-level pinning is a major concern that limits the charge transport properties of the devices. In this work, we have designed MS junctions using two-dimensional (2D) MXene nanosheets and Al-doped ZnO nanoparticles as a metal and an n-type semiconductor, respectively. The heterojunction was formed by layer-by-layer self-assembly on an indium tin oxide (ITO) substrate and probed by the Pt/Ir scanning tunneling microscopy (STM) tip at room temperature. By recording the tunneling current of the components that in turn yielded the density of states of the materials, we could identify their energy positions to determine the band alignments. We then proceeded to form heterojunctions and characterized their current–voltage characteristics through scanning tunneling spectroscopy. The junctions showed rectification, and the rectification ratio varied with the semiconductor doping concentrations. However, the shift of the Fermi level toward the conduction band edge of the semiconductor reduces the Schottky barrier width and consequently lowers the rectification ratio. Additionally, the MS junction with the poly-allylamine (PAH)-functionalized MXene nanosheets and the ZnO layer show a nonrectifying nature with low contact resistance at the interface. This work shows how a functionalized 2D-metal MXene and doped ZnO nanoparticle can tune the MS junction properties, used for implementing various flexible optoelectronic devices and transistor applications. [ABSTRACT FROM AUTHOR]

The effects of carbon incorporation on the thermal stability of the interfacial TiO2 layer and the electrical characteristics of Ti/TiO2/ n-Ge contacts were investigated. The improved thermal stability and contact characteristics of Ti/TiO2/ n-Ge contacts were characterized in terms of Schottky barrier height (SBH) and specific contact resistivity ( $\rho _{c}$ ) using the Schottky diode and circular transmission line model (CTLM). The values of SBH and $\rho _{c}$ increased after the rapid thermal annealing (RTA) above 550 °C. The current density–bias voltage ( $J-V$ ) curves of the Schottky diode showed a change of contact characteristics from Ohmic-like behavior to rectifying. This thermal instability was mainly caused by the decomposition of the interfacial TiO2 layer after high-temperature annealing. The structural degradation was confirmed by transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) analyses. When carbon ions were incorporated into the interfacial TiO2 layer, the SBH and $\rho _{c}$ values showed relatively stable characteristics as the RTA temperature increased up to 600 °C. The EELS mapping showed that the diffusion of oxygen from the interfacial TiO2 layer was effectively suppressed thanks to the incorporation of carbon. Thus, the carbon incorporation can improve the thermal stability of the interfacial TiO2 layer and the metal–insulator–semiconductor contact characteristics for Ge-based device applications.

Two-dimensional (2D) semiconductors have been considered as promising candidates to fabricate ultimately scaled field-effect transistors (FETs), due to the atomically thin thickness and high carrier mobility. However, the performance of FETs based on 2D semiconductors has been limited by extrinsic factors, including high contact resistance, strong interfacial scattering, and unintentional doping. Among these challenges, contact resistance is a dominant issue, and important progress has been made in recent years. In this review, the Schottky–Mott model is introduced to show the ideal Schottky barrier, and we further discuss the contribution of the Fermi-level pinning effect to the high contact resistance in 2D semiconductor devices. In 2D FETs, Fermi-level pinning is attributed to the high-energy metal deposition process, which would damage the lattice of atomically thin 2D semiconductors and induce the pinning of the metal Fermi level. Then, two contact structures and the strategies to fabricate low-contact-resistance short-channel 2D FETs are introduced. Finally, our review provides practical guidelines for the realization of high-performance 2D-semiconductors-based FETs with low contact resistance and discusses the outlook of this field. [ABSTRACT FROM AUTHOR]

The future of environmental monitoring, medical diagnostics, and industrial safety depends on developing room-temperature, long-term operable, stable, miniaturized, ultrahigh-performance sensors integrated into the Internet of Things (IoT). While noble metals and high-entropy alloys (HEAs) lead in addressing the limitations of conventional transition-metal dichalcogenides (TMDs) like MoS₂, they face challenges such as high-cost, limited availability, and fabrication complexity. To address this, multifunctional, cost-effective, humidity-insensitive novel phase Ti₀.₅Zn₀.₅ (TiZn) alloy nanoparticle-decorated MoS₂ nanosheets (MoS₂_NP) is developed for ultra-selective and highly sensitive triethylamine (TEA) vapor detection at room temperature (RT). This exhibited a 24-fold increase in response compared to MoS₂, with a high signal-to-noise ratio, negligible humidity interference, sensitivity of 9.92 × 10⁻⁵ ppm⁻¹ at RT, and a detection limit of 48 ppm. The enhanced catalytic activity and defect concentration, the reduction of the edge oxidation resulting in strong Fermi-level pinning, and the relatively high adsorption energy lead to a target gas-specific carrier-type response, demonstrating the potential of binary alloy nanoparticles (NPs) as decorative materials for enhanced sensing applications. The superior performance of the sensor led to the development of a TEA detection prototype interfaced with a mobile device via IoT for continuous monitoring, enhancing practicality and usability by offering immediate access to critical information., (© 2024 Wiley‐VCH GmbH.)

Two-dimensional (2D) transition metal dichalcogenides (TMDCs) known for their exceptional electrical and optical properties have emerged as promising channel materials for next-generation electronics. However, as strong Fermi-level pinning (FLP) between the metal and the 2D TMDC material at the source/drain (S/D) contact decides the Schottky barrier height (SBH), the transistor polarity is fixed to a certain type, which remains a challenge for the 2D TMDC field-effect transistors (FETs). Here, a S/D contact structure with a quasi-zero-dimensional (quasi-0D) contact interface, in which the dimensionality reduction effect alleviates FLP, was developed to gain controllability over the polarity of the 2D TMDC FET. As a result, conventional metal contacts on the WSe 2 FET showed n-type characteristics due to strong FLP (pinning factor of 0.06) near the conduction band, and the proposed quasi-0D contact enabled by the Ag conductive filament on the WSe 2 FET exhibited p-type characteristics with a SBH very close to the Schottky-Mott rule (pinning factor of 0.95). Furthermore, modeling of Schottky barriers of conventional contacts, one-dimensional (1D) contacts, and quasi-0D contacts revealed that the SBH of the quasi-0D contact is relatively less subject to interface dipoles that induce FLP, owing to more rapid decaying of dipole energy. The proposed contact in this study provided a method that progressed beyond the alleviation of FLP to achieve controllable polarity. Moreover, reducing the contact dimensionality to quasi-0D will enable high compatibility with the further scaled-down nanoscale device contact structure.

Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDCs) are extensively employed as channel materials in advanced electronic devices. The electrical contacts between electrodes and 2D semiconductors play a crucial role in the development of high-performance transistors. While numerous strategies for electrode interface engineering have been proposed to enhance the performance of n-type 2D transistors, upgrading p-type ones in a similar manner remains a challenge. In this work, significant improvements in a p-type WSe 2 transistor are demonstrated by utilizing metallic MoO 2 nanosheets as the electrode contact, which are controllably fabricated through physical vapor deposition and subsequent annealing. The MoO 2 nanosheets exhibit an exceptional electrical conductivity of 8.4 × 10 4 S m ‒1 and a breakdown current density of 3.3 × 10 6 A cm ‒2 . The work function of MoO 2 nanosheets is determined to be ≈5.1 eV, making them suitable for contacting p-type 2D semiconductors. Employing MoO 2 nanosheets as the electrode contact in WSe 2 transistors results in a notable increase in the field-effect mobility to 92.0 cm 2 V ‒1 s ‒1 , which is one order of magnitude higher than the counterpart devices with conventional electrodes. This study not only introduces an intriguing 2D metal oxide to improve the electrical contact in p-type 2D transistors, but also offers an effective approach to fabricating all-2D devices., (© 2024 Wiley‐VCH GmbH.)

The persistent challenges encountered in metal-transition-metal dichalcogenide (TMD) junctions, including tunneling barriers and Fermi-level pinning, pose significant impediments to achieving optimal charge transport and reducing contact resistance. To address these challenges, a pioneering self-aligned edge contact (SAEC) process tailored for TMD-based field-effect transistors (FETs) is developed by integrating a WS 2 semiconductor with a hexagonal boron nitride dielectric via reactive ion etching. This approach streamlines semiconductor fabrication by enabling edge contact formation without the need for additional lithography steps. Notably, SAEC TMD-based FETs exhibit exceptional device performance, featuring a high on/off current ratio of ∼10 8 , field-effect mobility of up to 120 cm 2 /V·s, and controllable polarity─essential attributes for advanced TMD-based logic circuits. Furthermore, the SAEC process enables precise electrode positioning and effective minimization of parasitic capacitance, which are pivotal for attaining high-speed characteristics in TMD-based electronics. The compatibility of the SAEC technique with existing Si self-aligned processes underscores its feasibility for integration into post-CMOS applications, heralding an upcoming era of integration of TMDs into Si semiconductor electronics. The introduction of the SAEC process represents a significant advancement in TMD-based microelectronics and is poised to unlock the full potential of TMDs for future electronic technologies.

Silicon-based photodetectors are attractive as low-cost and environmentally friendly optical sensors. Also, their compatibility with complementary metal-oxide-semiconductor (CMOS) technology is advantageous for the development of silicon photonics systems. However, extending optical responsivity of silicon-based photodetectors to the mid-infrared (mid-IR) wavelength range remains challenging. In developing mid-IR infrared Schottky detectors, nanoscale metals are critical. Nonetheless, one key factor is the Fermi-level pinning effect at the metal/silicon interface and the presence of metal-induced gap states (MIGS). Here, we demonstrate the utilization of the passivated surface layer on semiconductor materials as an insulating material in metal-insulator-semiconductor (MIS) contacts to mitigate the Fermi-level pinning effect. The removal of Fermi-level pinning effectively reduces the Schottky barrier height by 12.5% to 16%. The demonstrated devices exhibit a high responsivity of up to 234 μA/W at a wavelength of 2 μm, 48.2 μA/W at 3 μm, and 1.75 μA/W at 6 μm. The corresponding detectivities at 2 and 3 μm are 1.17 × 108 cm Hz1/2 W−1 and 2.41 × 107 cm Hz1/2 W−1, respectively. The expanded sensing wavelength range contributes to the application development of future silicon photonics integration platforms.

Quantum-dot light-emitting diodes (QLEDs) are multilayer electroluminescent devices promising for next-generation display and solid-state-lighting technologies. In the state-of-the-art QLEDs, hole-injection layers (HILs) with high work functions are generally used to achieve efficient hole injection. In these devices, Fermi-level pinning, a phenomenon often observed in heterojunctions involving organic semiconductors, can take place in the hole-injection/hole-transporting interfaces. However, an in-depth understanding of the impacts of Fermi-level pinning at the hole-injection/hole-transporting interfaces on the operation and performance of QLEDs is still lacking. Here, we develop a set of NiOx HILs with controlled work functions of 5.2–5.9 eV to investigate QLEDs with Fermi-level pinning at the hole-injection/hole-transporting interfaces. The results show that despite that Fermi-level pinning induces identical apparent hole-injection barriers, the red QLEDs using HILs with higher work functions show improved efficiency roll-off and better operational stability. Remarkably, the devices using the NiOx HILs with a work function of 5.9 eV demonstrate a peak external quantum efficiency of ∼ 18.0% and a long T95 operational lifetime of 8,800 h at 1,000 cd·m−2, representing the best-performing QLEDs with inorganic HILs. Our work provides a key design principle for future developments of the hole-injection/hole-transporting interfaces of QLEDs. [ABSTRACT FROM AUTHOR]

In perovskite solar cells (PSCs), defective perovskite grain boundaries (GBs) and/or surface due to photo‐excitation and the resulted suboptimal carrier dynamics at the perovskite/charge transport layer, have largely limited further performance enhancement and aggravated the PSCs instability. Fundamentally preventing the formation of these trap‐states through a simple and efficient approach is thus critical to the enhancement of both device performance and stability. Herein, a novel semiconductive silicon naphthalocyanine derivative (Cl‐SiNcTI) to reduce the deep level trap states at the GBs and the surface of perovskite film is successfully employed via a newly proposed photon‐relaxation mechanism. The resulting benign p‐type surface polarity and suppressed non‐radiation recombination lead to improved charge transport in bulk perovskite and at the perovskite/spiro‐OMeTAD interface. With a synergistic contribution of the Cl‐SiNcTI and 2‐(2‐Fluorophenyl)ethylamine iodide (oFPEAI), a 24.30% efficiency is achieved in a single cell with excellent operational stability. Moreover, under steady‐state light illumination, 93% power output compared to its initial state can still be maintained after 250 h of continuous operation. [ABSTRACT FROM AUTHOR]

Chemical vapor deposition (CVD)-grown monolayer (ML) molybdenum disulfide (MoS2) is a promising material for next-generation integrated electronic systems due to its capability of high-throughput synthesis and compatibility with wafer-scale fabrication. Several studies have described the importance of Schottky barriers in analyzing the transport properties and electrical characteristics of MoS2 field-effect-transistors (FETs) with metal contacts. However, the analysis is typically limited to single devices constructed from exfoliated flakes and should be verified for large-area fabrication methods. In this paper, CVD-grown ML MoS2 was utilized to fabricate large-area (1 cm Ă— 1 cm) FET arrays. Two different types of metal contacts (i.e. Cr/Au and Ti/Au) were used to analyze the temperature-dependent electrical characteristics of ML MoS2 FETs and their corresponding Schottky barrier characteristics. Statistical analysis provides new insight about the properties of metal contacts on CVD-grown MoS2 compared to exfoliated samples. Reduced Schottky barrier heights (SBH) are obtained compared to exfoliated flakes, attributed to a defect-induced enhancement in metallization of CVD-grown samples. Moreover, the dependence of SBH on metal work function indicates a reduction in Fermi level pinning compared to exfoliated flakes, moving towards the Schottkyâ€"Mott limit. Optical characterization reveals higher defect concentrations in CVD-grown samples supporting a defect-induced metallization enhancement effect consistent with the electrical SBH experiments. [ABSTRACT FROM AUTHOR]

Large scale development of the 2D transition metal di‐chalcogenides (TMDC) relies on landmark improvement in performance, which could emerge from nanostructuration. Using p‐WS2 nanoflakes with different degrees of exfoliation and fracturing, perspectives were provided to develop high‐surface‐area 2D p‐WS2 films for the photocatalytic hydrogen generation. The critical role of inter‐nanoflakes contacts within high‐surface‐area 2D films was demonstrated, highlighting the benefit of plane/plane versus edge/plane contacts. Evidence of the high density of surface states displayed by these 2D films was provided through electrochemical measurements. In addition to operating as recombination centers, the surface states were shown to give rise to deleterious Fermi‐level pinning (FLP), which dramatically decreased the efficiency of charge carrier separation. Lastly, promising strategies yielding FLP suppression via surface states modification were proposed. In particular, use of a multifunctional ultrathin film displaying healing, catalytic, and n‐type semiconduction properties was shown to greatly enhance charge carrier separation and transport to the photo‐electrode/electrolyte interface. When the 2D photoelectrodes were fabricated with the above prerequisites (i. e., a high proportion of plane/plane contacts and a successful surface states chemical modification), a photocurrent up to 4.5 mA cm−2 was achieved for the first time on 2D p‐WS2 photocathodes for hydrogen generation. [ABSTRACT FROM AUTHOR]

This paper reports on the modulation of Schottky barrier heights (SBH) on three different orientations of β-Ga2O3 by insertion of an ultra-thin SiO2 dielectric interlayer at the metal-semiconductor junction, which can potentially lower the Fermi-level pinning (FLP) effect due to metal-induced gap states (MIGS). Pt and Ni metal-semiconductor (MS) and metal-interlayer-semiconductor (MIS) Schottky barrier diodes were fabricated on bulk n-type doped β-Ga2O3 single crystal substrates along the (010), (-201) and (100) orientations and were characterized by room temperature current-voltage (I-V) and capacitance-voltage (C-V) measurements. Pt MIS diodes exhibited 0.53 eV and 0.37 eV increment in SBH along the (010) and (-201) orientations respectively as compared to their respective MS counterparts. The highest SBH of 1.81 eV was achieved on the (010)-oriented MIS SBD using Pt metal. The MIS SBDs on (100)-oriented substrates exhibited a dramatic increment (> 1.5 ×) in SBH as well as reduction in reverse leakage current. The use of thin dielectric interlayers can be an efficient experimental method to modulate SBH of metal/Ga2O3 junctions.

A gate stack that facilitates a high-quality interface and tight electrostatic control is crucial for realizing high-performance and low-power field-effect transistors (FETs). However, when constructing conventional metal-oxide-semiconductor structures with two-dimensional (2D) transition metal dichalcogenide channels, achieving these requirements becomes challenging due to inherent difficulties in obtaining high-quality gate dielectrics through native oxidation or film deposition. Here, a gate-dielectric-less device architecture of van der Waals Schottky gated metal-semiconductor FETs (vdW-SG MESFETs) using a molybdenum disulfide (MoS 2 ) channel and surface-oxidized metal gates such as nickel and copper is reported. Benefiting from the strong SG coupling, these MESFETs operate at remarkably low gate voltages, <0.5 V. Notably, they also exhibit Boltzmann-limited switching behavior featured by a subthreshold swing of ≈60 mV dec -1 and negligible hysteresis. These ideal FET characteristics are attributed to the formation of a Fermi-level (E F ) pinning-free gate stack at the Schottky-Mott limit. Furthermore, authors experimentally and theoretically confirm that E F depinning can be achieved by suppressing both metal-induced and disorder-induced gap states at the interface between the monolithic-oxide-gapped metal gate and the MoS 2 channel. This work paves a new route for designing high-performance and energy-efficient 2D electronics., (© 2024 The Authors. Advanced Materials published by Wiley‐VCH GmbH.)

This article aims to provide deep insight into the physics of substrates for RF applications under large-amplitude signal excitations. The impact of physical parameters on substrate-induced harmonic distortion is modeled and well understood, from a theoretical and quantitative standpoint. This article formulates the interplay between applied voltage signal (dc or RF), interface fixed charge, and trapped charge in a charge-balance analysis for high-resistivity and trap-rich (TR) substrates. A TCAD approach gives strong insight into the impact of such semiconductor material and interface properties on the RF substrate’s effective resistivity and linearity. First, a static analysis reveals how TR interface passivation overcomes the parasitic surface conduction effect using the concept of deep Fermi-level pinning. Next, substrates are analyzed in response to dynamic excitation signals. Using step functions to pulse an MOS structure from strong negative to strong positive applied charge sheds light on carrier dynamics. The characteristic time constants associated with variations in trap occupancy and in free carrier densities are discussed. Finally, sinusoidal large-amplitude signals are considered to analyze harmonic distortion from several types of substrates at various RF frequencies. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) semiconductors have been considered as promising candidates to fabricate ultimately scaled field-effect transistors (FETs), due to the atomically thin thickness and high carrier mobility. However, the performance of FETs based on 2D semiconductors has been limited by extrinsic factors, including high contact resistance, strong interfacial scattering, and unintentional doping. Among these challenges, contact resistance is a dominant issue, and important progress has been made in recent years. In this review, the Schottky–Mott model is introduced to show the ideal Schottky barrier, and we further discuss the contribution of the Fermi-level pinning effect to the high contact resistance in 2D semiconductor devices. In 2D FETs, Fermi-level pinning is attributed to the high-energy metal deposition process, which would damage the lattice of atomically thin 2D semiconductors and induce the pinning of the metal Fermi level. Then, two contact structures and the strategies to fabricate low-contact-resistance short-channel 2D FETs are introduced. Finally, our review provides practical guidelines for the realization of high-performance 2D-semiconductors-based FETs with low contact resistance and discusses the outlook of this field.

Embedding rare-earth monopnictide nanoparticles into III-V semiconductors enables unique optical, electrical, and thermal properties for THz photoconductive switches, tunnel junctions, and thermoelectric devices. Despite the high structural quality and control over growth, particle size (<3 nm), and density, the underlying electronic structure of these nanocomposite materials has only been hypothesized. Structural and electronic properties of ErAs nanoparticles with different shapes and sizes (cubic to spherical, 1.14, 1.71, and 2.28 nm) in AlAs, GaAs, InAs, and their alloys are investigated using first-principles calculations, revealing that spherical nanoparticles have lower formation energies. For the lowest-energy nanoparticles, the Fermi level is pinned near midgap in GaAs and AlAs but resonant in the conduction band in InAs. The Fermi level is shifted down as the particle size increases and is pinned on an absolute energy scale considering the band alignment at AlAs/GaAs/InAs interfaces, offering insights into the rational design of these nanomaterials.

Effects of carbon implantation (C-imp) on the contact characteristics of Ti/Ge contact were investigated. The C-imp into Ti/Ge system was developed to reduce severe Fermi-level pinning (FLP) and to improve the thermal stability of Ti/Ge contact. The current density (J)-voltage (V) characteristics showed that the rectifying behavior of Ti/Ge contact into an Ohmic-like behavior with C-imp. The lowering of Schottky barrier height (SBH) indicated that the C-imp could mitigate FLP. In addition, it allows a lower specific contact resistivity (ρc) at the rapid thermal annealing (RTA) temperatures in a range of 450–600 °C. A secondary ion mass spectrometry (SIMS) showed that C-imp facilitates the dopant segregation at the interface. In addition, transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) mapping showed that after RTA at 600 °C, C-imp enhances the diffusion of Ge atoms into Ti layer at the interface of Ti/Ge. Thus, carbon implantation into Ge substrate can effectively reduce FLP and improve contact characteristics.

Abstract We investigate the metal-insulator-semiconductor contacts on n-Ge utilizing a ZnO interfacial layer (IL) to overcome the Fermi-level pinning (FLP) effect at metal/Ge interface and reduce the barrier height for electrons. A small conduction band offset of 0.22 eV at the interface between ZnO and n-Ge is obtained, and the ZnO IL leads to the significant reduced contact resistance (R c) in metal/ZnO/n-Ge compared to the control device without ZnO, due to the elimination of FLP. It is observed that the argon (Ar) plasma treatment of ZnO can further improve the R c characteristics in Al/ZnO/n-Ge device, which is due to that Ar plasma treatment increases the concentration of oxygen vacancy V o, acting as n-type dopants in ZnO. The ohmic contact is demonstrated in the Al/ZnO/n-Ge with a dopant concentration of 3 × 1016 cm−3 in Ge. On the heavily doped n+-Ge with a phosphor ion (P+) implantation, a specific contact resistivity of 2.86 × 10− 5 Ω cm2 is achieved in Al/ZnO/n+-Ge with Ar plasma treatment.

Molybdenum disulfide (MoS2) field-effect transistors (FETs) with four different metallic electrodes (Au,Ag,Al,Cu) of drain-source were fabricated by mechanical exfoliation and vacuum evaporation methods. The mobilities of the devices were (Au) 21.01, (Ag) 23.15, (Al) 5.35 and (Cu) 40.52 cm2/Vs, respectively. Unpredictably, the on-state currents of four devices were of the same order of magnitude with no obvious difference. For clarifying this phenomenon, we calculated the Schottky barrier height (SBH) of the four metal–semiconductor contacts by thermionic emission theory and confirmed the existence of Fermi-level pinning (FLP). We suppose the FLP may be caused by surface states of the semiconductor produced from crystal defects. [ABSTRACT FROM AUTHOR]

Inefficient hole injection presents a major challenge in achieving stable and commercially viable solution-processed blue electroluminescent devices. Here, we conduct an in-depth study on quantum-dot light-emitting diodes (QLEDs) to understand how the energy levels of common electrodes and hole-transporting layers (HTL) affect device degradation. Our experimental findings reveal a design rule that may seem nonintuitive: combining an electrode and HTL with matched energy levels is most effective in preventing voltage rise and irreversible luminance decay, even though it causes a significant energy offset between the HTL and emissive quantum dots. Using an iterative electrostatic model, we discover that the positive outcomes, including a T 95 lifetime of 109 h (luminance = 1000 nits, CIE-y = 0.087), are due to the enhanced p-type doping in the HTL rather than the assumed reduction in barrier heights. Furthermore, our modified hole injection dynamics theory, which considers distributed density-of-states, shows that the increased HTL/quantum-dot energy offset is not a primary concern because the effective barrier height is significantly lower than conventionally assumed. Following this design rule, we expect device stability to be enhanced considerably.

On substrates such as Ge, GaAs, GaSb, InP and a few other materials, Fermi-level pinning (FLP) is a major concern as it inhibits barrier height modulation (BHM) with different work function metals. We demonstrate for the first time a novel and simple mechanical exfoliation of multilayer black phosphorus (BP) as an interfacial layer (IL) to depin the Fermi level on Ge substrate. Multilayer-BP IL was able to alleviate the critical issue of FLP, as it leads to (i) an increase in reverse current by more than two and a half orders on n-Ge (quasi-Ohmic current-voltage(I-V) characteristics) with a decrease in Schottky barrier height (SBH) of 0.14 eV, and (ii) a decrease in reverse current by two orders on p-Ge (Schottky I-V characteristics) with an increase in SBH of 0.52 eV as compared to devices without IL. The device with multilayer-WSe2 IL, having a high conduction band offset (CBO), leads to poor electrical performance compared to a multilayer-BP IL with low CBO. Based on this study, multilayer-BP can be considered as an ideal candidate for an IL material to resolve FLP issue and achieve BHM for various other pinned semiconductors as well. [ABSTRACT FROM AUTHOR]

Development of environment-friendly fabrication processes is one of the requirements for the next-generation semiconductor technology. In this regard, organic materials in the nature have emerged as exotic semiconducting materials exhibiting biocompatibility, biodegradability, and sustainability. Among them, indigo has excellent semiconducting properties appropriate for application in field-effect transistors. However, fundamental understanding of its electronic structure, which is a crucial information to improve the electrical properties, is lacking. In this study, we investigated the electronic structure of an indigo film using in-situ ultraviolet photoelectron spectroscopy (UPS) and inverse photoelectron spectroscopy. The measured hole injection barrier (φ h) and electron injection barrier (φ e) of indigo on a Au substrate were equal, which is consistent with its ambipolar charge transport characteristic. To determine the minimum values of φ h and φ e , the Fermi-level pinning at the indigo interface was analyzed. A series of UPS experiments were performed using substrates having different work functions. The slope diagram showed three regions typically observed at weakly interacting organic interfaces. The minimum φ h and φ e of indigo were measured to be approximately 0.90 and 0.25 eV, respectively. Based on this study, a robust strategy to improve the device performance could be established, which could expand the use of indigo to various applications. Unlabelled Image • The electronic structure of indigo was investigated using in-situ UPS and IPES. • The equal values of φ h and φ e of indigo/Au accord with its ambipolar properties. • The slope parameters of indigo showed three typical regions. • The minimum φ h and φ e of indigo were 0.90 and 0.25 eV. [ABSTRACT FROM AUTHOR]

We study the impact of fin-width scaling on transport in highly doped InGaAs fins and the effect of digital etch (DE). Our experiments suggest the existence of a 10-nm-wide “deadzone” on each side of the fin that does not contribute to the transport. The extent of the deadzone cannot be mitigated by DE nor sidewall passivation. Simulations suggest that the Fermi-level pinning and its associated subsurface depletion region alone cannot explain the relatively wide deadzone that is measured. We propose an explanation based on the combination of Fermi-level pinning and mobility degradation as the fin width scales down. This leads to an apparent wider deadzone than accounted by the Fermi-level pinning alone. [ABSTRACT FROM AUTHOR]

Abstract TaN film with various N contents was formed to provide ohmic contact on n-type Ge. Schottky barrier heights (SBH) of the TaN/n-Ge and TaN/p-Ge contacts were carefully investigated by low-temperature I-V measurement. The SBH was modulated from 0.54 eV for Ta/n-Ge to 0.30 eV for TaN/n-Ge. The SBH lowering on n-Ge was found to be linear with the N contact x in TaN x , which confirmed the interfacial dipoles layer model. Deposition of TaN on plasma-treated Ge surface showed that the surface damage is not the reason for the low SBH on n-Ge. On the contrary, SBH modulation effect vanished on the rough Ge surface due to deconstruction of the interfacial dipoles layer. [ABSTRACT FROM AUTHOR]

Molybdenum disulfide (MoS2) field-effect transistors (FETs) with four different metallic electrodes (Au,Ag,Al,Cu) of drain-source were fabricated by mechanical exfoliation and vacuum evaporation methods. The mobilities of the devices were (Au) 21.01, (Ag) 23.15, (Al) 5.35 and (Cu) 40.52 cm2/Vs, respectively. Unpredictably, the on-state currents of four devices were of the same order of magnitude with no obvious difference. For clarifying this phenomenon, we calculated the Schottky barrier height (SBH) of the four metal–semiconductor contacts by thermionic emission theory and confirmed the existence of Fermi-level pinning (FLP). We suppose the FLP may be caused by surface states of the semiconductor produced from crystal defects.

Van der Waals (vdW) metal-semiconductor junctions (MSJs) exhibit huge potential to reduce the contact resistance and suppress the Fermi-level pinning (FLP) for improving the device performance, but they are limited by optional (2D) metals with a wide range of work functions. Here a new class of vdW MSJs entirely composed of atomically thin MXenes is reported. Using high-throughput first-principles calculations, highly stable 80 metals and 13 semiconductors are screened from 2256 MXene structures. The selected MXenes cover a broad range of work functions (1.8-7.4 eV) and bandgaps (0.8-3 eV), providing a versatile material platform for constructing all-MXene vdW MSJs. The contact type of 1040 all-MXene vdW MSJs based on Schottky barrier heights (SBHs) is identified. Unlike conventional 2D vdW MSJs, the formation of all-MXene vdW MSJs leads to interfacial polarization, which is responsible for the FLP and deviation of SBHs from the prediction of Schottky-Mott rule. Based on a set of screening criteria, six Schottky-barrier-free MSJs with weak FLP and high carrier tunneling probability (>50%) are identified. This work offers a new way to realize vdW contacts for the development of high-performance electronic and optoelectronic devices., (© 2023 Wiley-VCH GmbH.)

The influence of electrochemical sulfide passivation on the electronic properties of Au/n-Hg 3 In 2 Te 6 Schottky contact was analyzed by photoelectron spectroscopy and I–V measurement. Through photoelectron spectroscopy, it was obtained that the element concentration of Te decreased and In-S and Hg-S bonds appeared in surface after passivation. Meanwhile, Fermi level was depinned due to the sulfide passivation, which is proved by the rise of work function. In addition, the leakage current of Au/n-Hg 3 In 2 Te 6 Schottky contact reduced, owing to the decrease in the density of surface states. Thus this method is of effective capability to suppress leakage current and modify rectifying behavior. [ABSTRACT FROM AUTHOR]

The superior catalytic activity of Pt towards proton reduction suggests application of Pt also in device architectures where hydrogen is produced by light-generated charge carriers. Large optical absorption cross sections of Pt nanoparticles, however, turn the attention to potential substitutes for Pt such as Au with more advantageous optical properties. In order to approach a functional Si/Au photocathode for hydrogen evolution, we report here on modifications of the Si-Au interface which result in improvements of charge transfer kinetics and optical properties of the device. After current-less deposition of Au nanoparticles onto silicon, these improvements are realized by chemical oxide exchange reactions at the Si/SiO/Au interface, i.e., dynamic etching of SiO and re-oxidation of Si in NHF (40%). A chemical reaction route for the reformation of the SiO layer in the presence of Au and the aqueous NHF solution is discussed. Simultaneous to the modification of the Si/SiO interface, small Au nanoparticles form larger clusters with enhanced effective scattering cross sections. Thereby, improved electronic interface properties and enhanced forward scattering of light increase the saturation photocurrent density by about 9% from 32 to 35 mA cm. Improved stability of the device in acidic electrolytes, near the thermodynamic potential for evolution of hydrogen, is furthermore discussed. Graphical Abstract: Enhanced photo-induced evolution of hydrogen at Si/SiO/Au. [ABSTRACT FROM AUTHOR]

This study revealed the band gap, visible transmittance, and crystallinity variation Cd 1 − x S:B emitter layer at different boron concentrations, as well as the CuInSe 2 absorption layer nucleation mechanism at pH values ranging from 1.53 to 2.13. CuInSe 2 deposited at a pH of 1.73 showed the highest grain size (24.29 nm) and approached the stoichiometric state of [Cu]/[In] = 0.98, which produced was used for solar cells and Schottky diode. The conversion efficiency of Al/AZO/Cd 1 − x S:B/CuInSe 2 /Mo/Glass structure cell was 2.37% (V oc : 293 mV, J sc : 26.85 mA/cm 2 , and FF: 0.301). Moreover, the aluminum material were deposited on CuInSe 2 as a Schottky diode (Al/CuInSe 2 /Mo/Glass), which diode was used to estimate the work function (Φ) and ideality factor (n) through Schottky barrier. These device parameters of Al/CuInSe 2 structure was Φ CuInSe2 = 4.791 eV and n = 3.52, respectively. This result revealed that the Cd 1 − x S:B/CuInSe 2 interface state can cause Fermi-level pinning with an interface recombination velocity of 2.328 × 10 3 cm s − 1 . This indicates the poor performance of Schottky diodes and thin film solar cells comprising Cd 1 − x S:B/CuInSe 2 . However, experimental results demonstrated that the passivation of the surface by using iodine treatment can improve the Fermi-level pinning effect on Cd 1 − x S:B/CuInSe 2 interfaces. [ABSTRACT FROM AUTHOR]

We report the systematic experimental studies demonstrating that a graphene layer inserted at metal/n-Si(001) interface is efficient to explore interface Fermi-level pinning effect. It is confirmed that an inserted graphene layer prevents atomic interdiffusion to form an atomically abrupt Schottky contact. The Schottky barriers of metal/graphene/n-Si(001) junctions show a very weak dependence on metal work-function, implying that the metal Fermi-level is almost completely pinned at charge neutrality level close to the valence band edge of Si. The atomically impermeable and electronically transparent properties of graphene can be used generally to form an intact Schottky contact for all semiconductors. [ABSTRACT FROM AUTHOR]

In this work we study conjugated polyelectrolyte (CPE) films based on polyamidoamine (PAMAM) dendrimers of generations G1 and G3. These fractal macromolecules are compared to branched polyethylenimine (b-PEI) polymer using methanol as the solvent. All of these materials present a high density of amino groups, which protonated by methoxide counter-anions create strong dipolar interfaces. The vacuum level shift associated to these films on n-type silicon was 0.93 eV for b-PEI, 0.72 eV for PAMAM G1 and 1.07 eV for PAMAM G3. These surface potentials were enough to overcome Fermi level pinning, which is a typical limitation of aluminium contacts on n-type silicon. A specific contact resistance as low as 20 mΩ·cm 2 was achieved with PAMAM G3, in agreement with the higher surface potential of this material. Good electron transport properties were also obtained for the other materials. Proof-of-concept silicon solar cells combining vanadium oxide as a hole-selective contact with these new electron transport layers have been fabricated and compared. The solar cell with PAMAM G3 surpassed 15% conversion efficiency with an overall increase of all the photovoltaic parameters. The performance of these devices correlates with compositional and nanostructural studies of the different CPE films. Particularly, a figure-of-merit ( V σ ) for CPE films that considers the number of protonated amino groups per macromolecule has been introduced. The fractal geometry of dendrimers leads to a geometric increase in the number of amino groups per generation. Thus, investigation of dendrimer macromolecules seems a very good strategy to design CPE films with enhanced charge-carrier selectivity.

In order to increase their stability and tune-sensing characteristics, metal oxides are often surface-loaded with noble metals. Although a great deal of empirical work shows that surface-loading with noble metals drastically changes sensing characteristics, little information exists on the mechanism. Here, a systematic study of sensors based on rhodium-loaded WO3, SnO2, and In2O3—examined using X-ray diffraction, high-resolution scanning transmission electron microscopy, direct current (DC) resistance measurements, operando diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy, and operando X-ray absorption spectroscopy—is presented. Under normal sensing conditions, the rhodium clusters were oxidized. Significant evidence is provided that, in this case, the sensing is dominated by a Fermi-level pinning mechanism, i.e., the reaction with the target gas takes place on the noble-metal cluster, changing its oxidation state. As a result, the heterojunction between the oxidized rhodium clusters and the base metal oxide was altered and a change in the resistance was detected. Through measurements done in low-oxygen background, it was possible to induce a mechanism switch by reducing the clusters to their metallic state. At this point, there was a significant drop in the overall resistance, and the reaction between the target gas and the base material was again visible. For decades, noble metal loading was used to change the characteristics of metal-oxide-based sensors. The study presented here is an attempt to clarify the mechanism responsible for the change. Generalities are shown between the sensing mechanisms of different supporting materials loaded with rhodium, and sample-specific aspects that must be considered are identified.