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A series of 150-nm-thick Al-doped ZnO (AZO) thin films with various Al doping concentrations were deposited by atomic layer deposition technique to determine their applicability in transparent electronic devices. For incorporation into transparent electrodes, the electrical properties of AZO films must be modulated to minimize the parasitic effect. The results show that AZO thin films with various Al dopant concentrations had different work-functions and electrical contact properties, while the other physical characteristics were not significantly changed. Hence, AZO thin films can be used as transparent conducting oxide materials and are potential alternatives for the currently used indium-tin-oxide (ITO) thin films. [ABSTRACT FROM AUTHOR]

[Display omitted] Heterojunctions photocatalysts play a crucial role in achieving high solar-hydrogen conversion efficiency. In this work, we mainly focus on the charge transfer dynamics and pathways for sulfides-based Schottky junctions in the photocatalytic water splitting process to clarify the mechanism of heterostructures photocatalysis. Sulfides-based Schottky junctions (CdS/CoP and CdS/1T-MoS 2) were successfully constructed for photocatalytic water splitting. Because of the higher work function of CdS than that of CoP and 1T-MoS 2 , the direction of the built-in electric field is from CoP or 1T-MoS 2 to semiconductor. Therefore, CoP and 1T-MoS 2 can act as electrons acceptors to accelerate the transfer of photo-generated electron on the surface of CdS, thus improving the charge utilization efficiency. Meanwhile, CoP and 1T-MoS 2 as active sites can also promote the water dissociation and lower the H+ reduction overpotential, thus contributing to the excellent photocatalytic hydrogen production activity (23.59 mmol·h−1·g−1 and 1195.8 mol·h−1·g−1 for CdS/CoP and CdS/1T-MoS 2). [ABSTRACT FROM AUTHOR]

To optimize the performance of photocatalytic H 2 production, many effective methods have been developed, such as controlling morphology, designing synergetic reaction, and enhancing the utilization of photogenerated charge carriers (PCCs). In this work, an efficient CoMoO 4 /Zn 0.3 Cd 0.7 S (CMO/ZCS) photocatalyst with p-n heterojunction was constructed by incorporating Zn 0.3 Cd 0.7 S (ZCS) nanoparticles into CoMoO 4 (CMO) microflowers. Although CMO had limited activity in H 2 production under visible light irradiation, it could largely boosting the H 2 production efficiency of ZCS nanoparticles by oxidizing p-chlorobenzyl alcohol (Cl-PhCH 2 OH) in organic solvent. In the CMO/ZCS composites, the best rates of H 2 and Cl-PhCHO reached 34.28 and 35.87 mmol g−1 h−1, respectively. The p-n heterojunction formed between CMO and ZCS may be the main enhanced reason of the excellent performance, as it could effectively improve the separation, transfer and utilization of PCCs. The design of the CMO/ZCS catalyst not only optimizes the migration and utilization of PCCs, but also provides crucial theoretical guidance and experimental insights for the development of highly efficient photocatalysts. [Display omitted] • CoMoO 4 /Zn 0.3 Cd 0.7 S heterojunction was prepared by self-assembly method. • Zn 0.3 Cd 0.7 S nanoparticles are incorporated into CoMoO 4 microflowers. • p-n heterojunction improves the transfer of photogenerated charge carriers. • Photocatalytic H 2 evolution is promoted by 4-chlorobenzyl alcohol oxidation. [ABSTRACT FROM AUTHOR]

Molecular doping of organic semiconductor is a great strategy for significantly regulating the electronic band structure of organic semiconductor while increasing charge mobility and carrier concentration. Here, a facile strategy is presented by introducing 2D g‐C3N5 as a p‐dopant into PM6, improving the charge mobility and hole carrier concentration of PM6. Moreover, the electron transfer between PM6 and g‐C3N5 can effectively downshift the Fermi energy level and highest occupied molecular orbital (HOMO) energy level of PM6, which leads to the increase the built‐in electric field of organic solar cells (OSCs). The addition of g‐C3N5 also effectively enhances the crystallization of active layer, thereby improving the stability of OSCs. As a result, a champion bulk‐heterojunction (BHJ) and layer‐by‐layer (LbL) structure OSCs are successfully achieved featuring a high‐power conversion efficiency of 18.10%/18.25%, simultaneously having excellent device stability. This work shows that introducing a low concentration dopant into organic donor is an effective method for improving the electrical performance of organic donor and the efficiency of OSCs. [ABSTRACT FROM AUTHOR]

[Display omitted] The sluggish kinetics and inferior stability of oxygen electrocatalyst in rechargeable zinc air battery (ZAB) hamper its industrialization. In this work, we activate cobalt telluride (CoTe) by introduction of metallic cobalt (Co) to modulate the work function to facilitate the electron transfer from Co to CoTe during oxygen catalysis; additionally, the three-dimensional porous carbon nanosheets (3DPC) are invited to reduce the resistance towards electrolyte/oxygen diffusion. Thereby, Co-CoTe@3DPC only demands 280 mV overpotential to reach 10 mA cm−2 under alkaline oxygen evolution reaction (OER) condition, relatively lower than commercial iridium oxides (IrO 2); besides, the operando electrochemical impedance spectroscopy (EIS) indicates a better resistance towards surface reconstruction than Co@3DPC leading to a superior stability. A Pt-like oxygen reduction reaction (ORR) performance, half-wave potential associated with kinetic current density, is achieved for Co-CoTe@3DPC. A maximum power density of 203 mW cm−2 is achieved and sustains for 800 h. Furthermore, the all-solid-state ZAB offers 97 mW cm−2. Theoretical calculation suggests that the incorporation of metallic Co to CoTe maintains the superb ORR activity and promotes the OER catalysis. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]

Although there have been numerous great field emission reports of pure and hybrid carbon nanotubes (CNTs) with ultra‐low turn‐on field and ultra‐high emission stability, practically all of the reports indicate concern about CNT manufacture on a large scale. This is due to the fact that CNT experiments require high pressure, temperature, metal catalysis, and an inert environment, and even after meeting all of these perfect conditions, the yield is quite low. Furthermore, as CNT is relatively inert in nature, it is nearly hard to make it reactive with any other metal without adequate functionalization. Keeping this in mind, this work reports the synthesis of CNT in amorphous form by a simple low‐temperature solid‐state reaction between ammonium chloride and ferrocene. The as‐synthesized CNT is further functionalized by silver oxide nanoparticle without additional functionalization. X‐ray diffraction (XRD) confirms the proper phase formation as well as the successful functionalization of the pure and hybrid sample, electron microscopic images confirm the successful functionalization of the as‐prepared CNT whereas Fourier transformed infrared (FTIR) spectroscopic analysis gives the ideas about different bonding present in all the samples. It has been found that the hybrid sample gives much better field emission performance compare to the pure CNT with betterment in both turn‐on field and enhancement factor more than 100%. The betterment is believed to be due to the favorable band bending, larger number of emission sites, and sharp curvature of the silver particles. [ABSTRACT FROM AUTHOR]

Cold cathode emission or cold field emission (CFE) is a purely quantum mechanical phenomenon and a phenomenon of wonder. The exact science behind the observed current (I)–voltage (V) is yet to be pin pointed. For instance, a good cold emitter is very reasonably supposed to have low work function and good conductivity whereas a carbon allotropes like diamonds have just the reverse in both the cases, i.e., it is insulating in nature having very wide band gap as well as high work function yet it is considered to be an efficient field emitter. Since early of 20th century, till its middle a number of groups have suggested different equations or relations that can adequately describe the experimental CFE I–V characteristics adequately. Although they all fundamentally follow an exponential law, but so far, the relation suggests by Fowler and Nordheim (F–N) is the most accepted one. However, there is another relationship suggested by Millikan and Lauritsen (M–L) which is in spite of being reasonable not so common now a day to use. This work revisits different popular approaches for analyzing cold emission data. With this aim, the experimental CFE data obtained for chemically synthesized zinc oxide nanorods are chosen. The proper phase formation of ZnO is confirmed by XRD study whereas FESEM shows the rod like morphology. EDX confirms the proper stoichiometric ratio for the sample. After detail analysis it is confirmed that the theoretically proposed relation between F–N and M–L experimentally holds good as well and thus it would not be wrong to analyze the CFE data by simple M–L theory. [ABSTRACT FROM AUTHOR]

The recent emergence of Janus 2D materials like SnSSe, derived from SnS2, reveals unique electrical and optical features, such as asymmetrical electronic structure, enhanced carrier mobility, and tunable bandgap. Previous theoretical studies have discuss the electronic properties of Janus SnSSe, but experimental evidence is limited. This study presents a two‐step method for synthesizing Janus SnSSe, involving hydrogen plasma treatment and in situ selenization. Optimized conditions (38 W, 1.5 min, 250 °C) are determined using Raman spectroscopy and AFM analysis. XPS confirmed SnSSe's elemental composition, while KPFM reveals a significant reduction in the work function (from 5.26 down to 5.14 eV) for the first time, indicating asymmetrically induced n‐type doping. Finally, field‐effect transistors (FETs) derived from SnSSe exhibited significantly enhanced mobility and on‐current, as well as n‐type doping, compared to SnS2‐based FETs. These findings lay a crucial foundation for developing high‐performance 2D electronic and optoelectronic devices. [ABSTRACT FROM AUTHOR]

ABSTRACT The present work deals with the Argon (Ar) Thermal plasma‐induced surface modification of Cu and its correlation with the electrical and field emission (FE) properties. Polycrystalline Cu targets were treated with Ar thermal plasma under atmospheric pressure at different treatment times ranging from 5 min to 30 min. XRD patterns revealed the absence of new phase in treated samples. However, significant variation in peak intensities and shifting is observed, which is explained on the basis of thermal plasma ions induced defect generation and annihilation processes. The electrical conductivity of processed Cu targets measured by four‐probe method ranges from 1.9 MS/m to 70 MS/m and is well correlated with the crystallite size variation. Surface modification induced work function alternations investigated by employing Scanning Kelvin Probe (SKP) technique are in the range of 4.69 eV 4.97 eV. The irradiated morphology explored by optical and scanning electron microscopy analyses revealed the formation of localized melt pools, grains, hillocks, spheroids, and sputtered patches, which are explainable on the basis of Coulomb's explosion, thermal spike model, plasma‐induced sputtering, and re‐deposition. FE properties of thermal plasma‐treated Cu are measured in diode configuration by measuring I‐V characteristics of target under ultra‐high vacuum condition. The improved FE parameters such as turn‐on field (Eo), field enhancement factor (β), and maximum current density (Jmax) come out to be in the range of 3–7.5 V/μm, 1715–3223, and 284–872 nA/cm2, respectively and their correlation with plasma‐induced surface structural, morphological and work function modifications is discussed. [ABSTRACT FROM AUTHOR]

The ability to generate heterostructures with a desirable charge transfer pathway is essential for achieving semiconductor photocatalysts with super photocatalytic activity. Herein, it is proposed to realize robust tailoring of effective charge transfer pathway in semiconductor‐based heterostructures via work function regulation, and elucidate the influence of the work function of the semiconductor on the charge transfer mechanism at the heterostructure interface. Specifically, taking type‐II heterostructure SrTiO3/Mn3O4 as an example, introducing BiFeO3 into SrTiO3 effectively regulate the work function of the (BiFeO3)x(SrTiO3)1−x/Mn3O4 (BxT1−x/Mn3O4) solid solution through optimizing the x value. Combined with in situ testing, the results show that the original type‐II heterojunction SrTiO3/Mn3O4 is converted into S‐scheme heterojunction (BiFeO3)0.3(SrTiO3)0.7/Mn3O4 when BiFeO3 is introduced. This increases the work function of the semiconductor, inducing the light‐generated carriers to be guided and separated by the generated built‐in electric field. Therefore, the implementation of this strategy can achieve efficient photocatalytic CO2 reduction. In contrast to pristine SrTiO3/Mn3O4, the (BiFeO3)0.3(SrTiO3)0.7/Mn3O4 heterostructure exhibits a 28‐fold enhancement of in electron consumption rate during photocatalytic CO2 reduction, and the reaction mechanism is suggested. In this study, a strategy for effectively converting interfacial charge transfer pathways in semiconductor photocatalysts is developed to enhance the photoconversion kinetics of CO2 and H2O. [ABSTRACT FROM AUTHOR]

Computational experiments were carried out to find a tiny sensor that can detect the Lomustine (LT) drug. The experiments studied how the sensor interacts with regular and aluminum-doped boron nitride sheets (BN-yne and Al-BN). The calculations reveal that the LT medication mainly attaches to the B atom in the BN-yne molecule through its NO group, and the binding energy is −5.2 kcal/mol. Using the LT drug only changes the electronic features of the original BN-yne sheet a little. Replacing a B atom with an Al atom in the –B = N– connection significantly enhances the reactivity and responsiveness of the BN-yne sheet to the LT drug. The electrical conductivity increases because the energy gap of Al-BN decreases from 4.81 to 3.08 eV. Moreover, its work function (Φ) has been significantly reduced from 3.51 to 2.55 eV, which causes an increment in the field emission electron current. Eventually, what is expected is a short recovery time of 3.9 sec for the desorption of LT from the Al-BN surface. As the results suggest, Al-BN can work as perfectly as an electronic sensor to acquire the LT drug. [ABSTRACT FROM AUTHOR]

Accordion-like multilayered Ti3C2Tx MXene has garnered significant attention due to its high conductivity and sensitivity, thereby being promising for acetone sensing. However, the limited stability of thin-layered MXene hinders its applications at high temperature. In this study, MXene/Co3O4 was synthesized via a self-assembly method by coating thin-layered MXene with Co3O4 nanosheets (Co3O4 NS) to enhance acetone sensing performance, especially at a high temperature of up to 200 °C. An interfacial electric field arises between Ti3C2Tx MXene and Co3O4 NS because of their different work functions. Due to a synergistic effect of the interfacial electric field and the surface-coated Co3O4, MXene/Co3O4 achieves the highest response intensity for acetone concentrations ranging from 0.1 to 1000 ppm, surpassing the individual sensitivities of Co3O4 NS and MXene alone. Remarkably, the detection limit of MXene/Co3O4 (0.1 ppm) outperforms those of Co3O4 NS and MXene. Employing the AdaBoost algorithm for machine learning, MXene/Co3O4 demonstrated 99.76% accuracy in distinguishing acetone from six other gases, holding great potential for practical gas sensing applications. The acetone adsorption energy of the MXene/Co3O4 heterojunction calculated by density functional theory is −0.97 eV, indicating easier adsorption than MXene and Co3O4 NS. This study presents a facile approach to fabricate MXene/metal oxide-based materials for acetone sensing, offering promising prospects in gas sensor development and showing universal significance for gas sensing fabrications. [ABSTRACT FROM AUTHOR]

The effects of different Mn concentrations on the generalized stacking fault energies (GSFE) and elastic properties of MnxCoCrFeNi high-entropy alloys (HEAs) have been studied via first-principles, which are based on density functional theory. The relationship of different Mn concentrations with the chemical bond and surface activity of MnxCoCrFeNi HEAs are discussed from the perspectives of electronic structure and work function. The results show that the plastic deformation of MnxCoCrFeNi HEAs can be controlled via dislocation-mediated slip. But with the increase in Mn concentration, mechanical micro twinning can still be formed. The deformation resistance, shear resistance, and stiffness of MnxCoCrFeNi HEAs increase with the enhancement of Mn content. Accordingly, in the case of increased Mn concentration, the weakening of atomic bonds in MnxCoCrFeNi HEAs leads to the increase in alloy instability, which improves the possibility of dislocation. [ABSTRACT FROM AUTHOR]

In this study, metal–silicide-based contacts to GaN-cap/AlGaN/AlN-spacer/GaN-on-Si heterostructure were investigated. Planar Schottky diodes with Cu-covered anodes comprising silicide layers of various metal–silicon (M–Si) compositions were fabricated and characterized in terms of their electrical parameters and thermal stability. The investigated contacts included Ti–Si, Ta–Si, Co–Si, Ni–Si, Pd–Si, Ir–Si, and Pt–Si layers. Reference diodes with pure Cu or Au/Ni anodes were also examined. To test the thermal stability, selected devices were subjected to subsequent annealing steps in vacuum at incremental temperatures up to 900 °C. The Cu/M–Si anodes showed significantly better thermal stability than the single-layer Cu contact, and in most cases exceeded the stability of the reference Au/Ni contact. The work functions of the sputtered thin layers were determined to support the discussion of the formation mechanism of the Schottky barrier. It was concluded that the barrier heights were dependent on the M–Si composition, although they were not dependent on the work function of the layers. An extended, unified Schottky barrier formation model served as the basis for explaining the complex electrical behavior of the devices under investigation. [ABSTRACT FROM AUTHOR]

Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) is a commonly used conductive polymer in organic optoelectronic devices. The conductivity and work function of the PEDOT:PSS are two important parameters that significantly determine the performance of the associated optoelectronic device. Traditionally, some solvents were doped in PEDOT:PSS solution or soaked in PEDOT:PSS film to improve its electrical conductivity, but they damaged the integrity of PEDOT:PSS and reduce the film's work function. Herein, for the first time, we use femtosecond laser irradiation to modify the electrical conductivity and work function of PEDOT:PSS film. We proposed that the femtosecond laser irradiation could selectively remove the superficial insulative PSS, thereby improving the electrical conductivity of the film. The femtosecond laser-irradiated PEDOT:PSS film was further employed as a hole injection layer within cutting-edge perovskite light-emitting diodes (PeLEDs). A maximum luminosity of 950 cd/m2 was obtained in PeLEDs irradiated by femtosecond laser light in thin films, which is five times higher than that of the controlled device. Moreover, the external quantum efficiency of the devices was also increased from 4.6% to 6.3%. This work paved a cost-effective way to regulate the electrical properties of the PEDOT:PSS film. [ABSTRACT FROM AUTHOR]

The possibility of measuring the work function of metals and salt systems by measuring the partial pressures of the ionic component of the gas phase using the Knudsen effusion method combined with mass spectrometric analysis of evaporation products was studied. The main sources of erroneous data are analyzed. Various determinations of the electronic work function and the relationship between them are considered. [ABSTRACT FROM AUTHOR]

[Display omitted] While great efforts have been made to improve the electrocatalytic activity of existing materials toward hydrogen evolution reaction (HER), it is also importance for searching new type of nonprecious HER catalysts to realize the practical hydrogen evolution. Herein, we firstly report nanocrystalline transition metal tetraborides (TMB 4 , TM=W and Mo) as an efficient HER electrocatalyst has been synthesized by a single-step solid-state reaction. The optimized nanocrystalline WB 4 exhibits an overpotential as low as 172 mV at 10 mA/cm2 and small Tafel slope of 63 mV/dec in 0.5 M H 2 SO 4. Moreover, the nanocrystalline WB 4 outperforms the commercial Pt/C at high current density region, confirming potential applications in industrially electrochemical water splitting. Theoretical study reveals that high intrinsic HER activity of WB 4 is originated from its large work function that contributes to the weak hydrogen-adsorption energy. Therefore, this work provides new insights for development of robust nanocrystalline electrocatalysts for efficient HER. [ABSTRACT FROM AUTHOR]

This work studies the performance of solar cells composed of two different materials, graphene oxide (Go, hole transport material) and zirconium disulfide (ZrS2, electron transport materials) using the SCPAS -1D simulation. It has been found that Go/ZrS2 solar cells show better performance with high short circuit current, Jsc, of 38 mA/cm2 and the power conversion efficiency, η, of 17% compared with other solar cells based on graphene oxide and perovskite materials. Additionally, the short circuit current density decreases from 38 mA/cm2 to 22 mA/cm2 when the energy gap of ZrS2 increases from 1.2 eV to 17 eV. The increasing the operating temperature and the work function of back contact also led to decrease the open circuit voltage and power conversion efficiency of the cells, while the short circuit current density was slightly enhanced. That is attributed to changes in the electrical properties of Go and ZrS2 layers, including their charge carrier mobility and characteristics of the interfacial layers.

Plasmonic rulers (PRs) linking nanoscale distance dependence spectral shifts are important for studying cellular microenvironments and biomarker detection. The traditional PR design employs tethering metal nanoparticle pairs using synthetic and biopolymers that severely suffer from reproducibility issues, as well as lack reversibility. Here, the fabrication of novel PRs is reported through the formation of self‐assembled monolayers (SAMs) of photoswitchable molecular machines chemically tethered onto sharp‐tip gold nanostructures (Au NSs). This unique and highly sensitive PR utilizes localized surface plasmon resonance (LSPR) properties of Au NSs to spectroscopically evaluate dipole–dipole coupling between NSs and photoisomerizable spiropyran (SP)‐merocyanine (MC) conjugates in the solid‐state. It is observed that the SAM‐modified NSs are extremely sensitive to the photoisomerization of SP‐to‐MC, resulting in LSPR shifts as large as 5.6 nm for every 1.0 Å change in distance. The highly dipolar MC changes the NS‐SAM interfacial polarizability and alters the dipole–dipole coupling leading to the ultrasensitive PR is hypothesized. The hypothesis is supported theoretically by calculating dipole polarizability of an inorganic‐organic heterodimer model and experimentally by determining work function and interfacial dipole values. Taken together, this work represents the fabrication of next‐generation PRs, which hold great promise for advanced, plasmonic‐based sensors and optoelectronic device fabrication. [ABSTRACT FROM AUTHOR]

Poly (3,4‐ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) is one of the most widely used functional materials for hole transport layer in perovskite light‐emitting diode (LED). Tuning its work function (WF) and conductivity (κ) is a key issue for promoting perovskite LED performance. While decreasing its WF always reduces its κ and vice versa. Solving such contradiction is quite significant for promoting the development and commercialization of perovskite LED. Herein, the aniline (Ani) is employed for PEDOT:PSS interface modification. Ani inserted between PEDOT and PSS to weaken electrostatic interaction between sulfonic acid group in PSS chain and thiophene group in PEDOT chain, which results in increased delocalized electrons to enhance its κ. More importantly, the acid–base reaction decreases high acidity of PEDOT:PSS, which is an effective way to increase its WF and decrease its interface defects density. Meanwhile, such interface modification avoids PEDOT:PSS phase separation and ensures the uniformity of film. After Ani modification, the WF of PEDOT:PSS increase from 5.16 to 5.31 eV, the κ increases from 0.30 to 8.62 S cm−1, and the hole mobility enhances from 0.716 × 10−6 to 1.306 × 10−6 cm2 V−1 s−1. Modified PEDOT:PSS boost CsPbI3 LED achieving a maximum external quantum efficiency of 17.70%. [ABSTRACT FROM AUTHOR]

MXene Ti3C2T x (30% HF-etched, named Ti3C2T x -30) plays a pivotal role in the substantial enhancement of the structural modification of molybdenum trioxide (MoO3). Additionally, as the surface MoO3 molecules come into contact with reducing gas moieties, they actively participate in gas sensing at room temperature. The percentage of Ti3C2T x -30 in the MoO3 matrix was varied at 10%, 20%, and 40%, denoted as MM-10, MM-20, and MM-40, respectively. Structural analysis confirmed the composition of the basic elements and evolution of TiO2 at a higher percentage of Ti3C2T x -30. Spectroscopy analysis showed the interactions between Ti3C2T x -30 and MoO3, showcasing work functions of 6.91 eV, 6.75 eV, and 7.21 eV for MM-10, MM-20, and MM-40, respectively, confirming MM-20 to be an optimum composition. When the samples were exposed to ammonia gas, MM-20 showed a high response (93% for 100 ppm) at room temperature, with a response time of ∼10 s. Compared to bare MoO3, these samples showed ten-fold improvement. The excess electrons on the surface of Ti3C2T x -30 facilitate the formation of O2− species, which also provides stability to the otherwise highly reactive MXene surface. These species actively react with ammonia molecules in the presence of adsorbed MoO3, thereby changing the resistance of the system. This can be a significant step towards imparting high gas sensitivity to metal oxides at room temperature via incorporation of an optimum percentage of optimized Ti3C2T x. [ABSTRACT FROM AUTHOR]

Nowadays, biodegradable metals and alloys, as well as their corrosion behavior, are of particular interest. The corrosion process of metals and alloys under various harsh conditions can be studied via the investigation of corrosion atom adsorption on metal surfaces. This can be performed using density functional theory-based simulations. Importantly, comprehensive analytical data obtained in simulations including parameters such as adsorption energy, the amount of charge transferred, atomic coordinates, etc., can be utilized in machine learning models to predict corrosion behavior, adsorption ability, catalytic activity, etc., of metals and alloys. In this work, data on the corrosion indicators of Zn surfaces in Cl-, S-, and O-rich harsh environments are collected. A dataset containing adsorption height, adsorption energy, partial density of states, work function values, and electronic charges of individual atoms is presented. In addition, based on these corrosion descriptors, it is found that a Cl-rich environment is less harmful for different Zn surfaces compared to an O-rich environment, and more harmful compared to a S-rich environment. [ABSTRACT FROM AUTHOR]

The persistent decomposition of electrolytes on graphite and silicon electrodes in lithium‐ion batteries (LIBs) is typically mitigated by the formation of a solid electrolyte interphase (SEI). However, the inadequate formation and chemo‐mechanical degradation of SEI leads to re‐exposure of electrode to electrolyte, contributing to the deterioration of LIBs. To address this issue, tris(2,4‐pentanedionato)indium(III) (InAc) is incorporated into the work function tailoring additive. While conventional additives strengthen the chemo‐mechanical properties of SEI through compositional modifications derived from specific elements, InAc uniquely alters charge transfer across the electrode surface, facilitated by high or low work function layer. This additive establishes an interlayer between the SEI and graphite/SiO surfaces, attributed to its tailored lowest unoccupied molecular orbital energy level. Consequently, the exposure of graphite surface to the electrolyte is minimized by interlayer during cycling. The interlayer possesses a higher work function than lithiated graphite and suppresses further electrolyte decomposition on graphite. In contrast, the interlayer on SiO decreases work function of SiO surface, which promotes the formation of inorganic SEI on SiO. Hence the degradation of SEI is suppressed with LiIn layer at SiO electrode. This leads to a reduction in the ongoing accumulation of SEI, thereby enhancing durability of LIBs. [ABSTRACT FROM AUTHOR]

Detecting hazardous and toxic gases and their removal from environment is essential for human health. 2D materials plays vital role for gas sensing or scavenging. Density functional theory (DFT) was applied to investigate the adsorption of six toxic gases (CO, COS, NO, NO2, CH4O, and CH2N2) on Cu-decorated Aluminene surface. Aluminene preserve its metallic character after copper decoration. The greater values of adsorption energy (-2.72 eV, -0.92 eV, -3.39 eV, -2.14 eV, -2.66 eV and − 2.95 eV respectively) proposed that Cu-decoration is favorable than pristine Aluminene. Electronic properties and adsorption energies suggested chemisorption behavior of CO, NO and NO2 while other gas molecules showed physisorption. Hybridization occurs between d-orbitals of the system and the gas molecules that improved the electronic properties. The study encompassed analyses of Density of States (DOS), charge distribution, Electron Localization Function (ELF), work function, charge density difference (CDD) and recovery time. Band gap found to be zero for the optimized system prior to and following gas adsorption. It represent good conductivity of the material, owing to the possibility of an efficient gas sensor. The recovery time analysis indicated that the material exhibited reversible gas sensing properties at high temperatures. At lower temperatures, it could potentially serve as a disposable sensor for industrial safety applications. [ABSTRACT FROM AUTHOR]

The Co-WS 2 heterostructure, loaded on nanofibers with faster electron transport rates, was designed and developed using a top-down approach to achieve high HER performance in alkaline electrolytes. Driven by the inherent electric field induced by the work function difference between Co and WS 2 , efficient electron transfer at the interface optimizes the adsorption energy of reaction intermediates and boosts catalytic activity. [Display omitted] Designing and developing cost-effective, high-performance catalysts for hydrogen evolution reaction (HER) is crucial for advancing hydrogen production technology. Tungsten-based sulfides (WS x) exhibit great potential as efficient HER catalysts, however, the activity is limited by the larger energy required for water dissociation under alkaline conditions. Herein, we adopt a top-down strategy to construct heterostructure Co-WS 2 nanofiber catalysts. The experimental results and theoretical simulations unveil that the work functions-induced built-in electric field at the interface of Co-WS 2 catalysts facilitates the electron transfer from Co to WS 2 , significantly reducing water dissociation energy and optimizing the Gibbs free energy of the entire reaction step for HER. Besides, the self-supported catalysts of Co-WS 2 nanoparticles confining 1D nanofibers exhibit an increased number of active sites. As expected, the heterostructure Co-WS 2 catalysts exhibit remarkable HER activity with an overpotential of 113 mV to reach 10 mA cm−2 and stability with 30 h catalyzing at 23 mA cm−2. This work can provide an avenue for designing highly efficient catalysts applicable to the field of energy storage and conversion. [ABSTRACT FROM AUTHOR]

Background: Maintaining or promoting employment in the presence of disability or reducing the impact of disability on employability should be the adopted focus to decrease the negative impact that disability has on the economy and just as important on the livelihood and well-being of exposed insured individuals. Group risk disability insurance protects an employee's income when illness or injury result in work disability. To achieve this, factors that promote the success of rehabilitation and support for return-to-work of employees following illness and injury need to be understood from an insurance perspective. Objectives: To explore principles of disability claims management during the rehabilitation and work reintegration stage using a multi-stakeholder approach for the purpose of successful return to work. Methods: An exploratory qualitative design was used to collect data via semi-structured interviews with 26 purposively selected participants. Interviews were audio-recorded, data were transcribed and analysed thematically. Qualitative research was used to understand the necessary role players in the work reintegration process, factors that hinder and promote work reintegration and best practice principles for Disability Claims Management (DCM) Results: Three themes emerged from the study; (i) role players and their functions with collaboration is integral to disability claims management, (ii) various factors promote and restrict return-to-work planning, and (iii) best practice principles in the DCM pathway that promote return-to-work. These principles include behavioural economics as the central principle, with resource identification and competency, governance, role engagement and education and awareness as supporting principles. Conclusion: Collaborative and integrated approaches by role players within a workers' family unit, health system, employer structure and insurance compensation are required for positive return-to-work outcomes. The various role players are responsible for creating policies, structures, intervention strategies, and environments that foster return-to-work. Implications for practice * An integrated approach is required for optimal RTW outcomes as employers' policies restrict work integration. * A collaborative approach by all role players involved in DCM, focusing on positive RTW outcomes is required in the RTW process * Occupational therapists can influence employer incapacity and disability policies in order to keep people employed and productive in the presence of medical conditions with the application of reasonable accommodations where necessary. * Occupational therapists are suitably positioned to outline workplace environment and other supports required to guide and support employees through rehabilitation and RTW and in ensuring that employees who can remain at work while on a partial or fully insured benefit, can engage optimally in aspects of work function. [ABSTRACT FROM AUTHOR]

The performance and operational stability of perovskite‐based devices heavily rely on the interfacial properties between the photoactive perovskite layer and charge transport layers. Understanding the theoretical relationship between surface/interface dipoles and surface energetics is crucial for scientific understanding and practical applications. In this study, a method is applied that bridges classical electromagnetism and modern atomistic approaches. The impact of dipolar ligand molecules functionalizing the FASnI3 perovskite surface is investigated, with inspection of the interplay between surface dipole, charge transfer, and local strain effect, and corresponding shifts in the valence level. The results reveal that the contribution of individual molecular entities to surface dipoles and electric susceptibilities follows an essentially additive behavior. The influence of F doping usually used to mitigate Sn oxidation in Sn‐based layer for photovoltaic applications, is also discussed. Furthermore, the findings are compared with predictions from classical approaches employing a capacitor model that links the induced vacuum level shift and the molecular dipole moment. The insights gained from the study provide theoretical guidelines for fine‐tuning the work functions of materials, thus enabling effective interfacial engineering in this class of semiconductors. [ABSTRACT FROM AUTHOR]

Optimizing the photocatalytic efficiency of semiconductor materials is capable of being achievable by the effective tuning of the interfacial transport efficiency of photogenerated carriers utilizing crystal facet engineering. This study adopted a liquid deposition routine tackle to generate cubic, truncated octahedral, and octahedral Cu2O crystals with various exposed facets. Afterward, a Cu2O/g-C3N4 heterojunction was constructed exploiting defective g-C3N4 as a carrier. By controlling the exposed facet, the work function difference between Cu2O and g-C3N4 was adjusted, resulting in an enhanced built-in electric field and greater photogenerated carrier transit via the Cu2O/g-C3N4 heterojunction interface. The OCN heterojunction, which is composed of g-C3N4 and octahedral Cu2O with a {111} facet, revealed the highest photocatalytic degradation effectiveness of tetracycline (90.8%), which exceeded the values of pure octahedral Cu2O and g-C3N4 by 1.26 and 1.75 times, respectively, as determined by photocatalytic activity experiments. Z-scheme heterojunction among g-C3N4 and octahedral Cu2O has been verified through UPS, XPS, EIS, and transient photocurrent response analysis, along the direction of the built-in electric field recognized between them. In contrast, OCN displayed the highest photocatalytic activity due to its Z-scheme heterojunction, which evidently promoted the separation efficiency of photogenerated carriers. This research proposes an innovative approach for regulating the exposed facet of semiconductors and augmenting the inherent electric field strength of heterojunctions, culminating in the efficient photocatalytic degradation of tetracycline. [ABSTRACT FROM AUTHOR]

The work function is a critical parameter for device design and understanding of materials properties, but contemporary experimental literature on tailored work functions is rather scarce. This paper presents a promising new approach to work function design that uses pulsed laser deposition (PLD) growth with unit cell precision. It is shown that a monolayer buried within a material can influence the work function as a function of the layer depth. This method can preserve properties of the original material's surface, and furthermore, a sensitive material can be used as the monolayer, both of which are beneficial for device design. Proof of concept is demonstrated by inserting a nominal monolayer of barium oxide (BaO) into strontium titanate (SrTiO3) (001) at different depths, revealing a previously unknown work function trend. Density functional theory (DFT) calculations, surface characterization, and scanning transmission electron microscopy (STEM) studies verify the quality of the heterostructures and help to understand how charge transfer, slight barium diffusion, and termination effects account for the observed work function trends. This work function tunability is a promising approach for future devices that require a tailored work function, which can easily be extended to a wider variety of materials. [ABSTRACT FROM AUTHOR]

Stability is the most pressing challenge hindering the commercialization of perovskite solar cells (PSCs), and previous efforts focused more on enhancing the resistance of PSCs to external stimulus. Here, we found that the indium tin oxide (ITO) will deteriorate the photovoltaic performance of PSCs through positive feedback cycles. Specifically, the perovskite degradation products will cross the electron transport layer to chemically etch the electrode ITO to generate In3+, which will migrate upwards into the perovskite film. Then, the reaction that corrodes ITO consumes the decomposition products of perovskite and shifts the balance of the perovskite decomposition reaction, further promoting the degradation and thus falling into a positive feedback cycle. Moreover, the In3+ in the perovskite film was found to accumulate at the upper surface, which would lead to n‐type doping of perovskite film to form the energy barrier for interface carrier extraction. Subsequently, the chelating molecule ethylenediaminetetraacetic acid disodium salt (EDTA‐2Na) was introduced onto ITO to firmly chelate the In3+ and prevent it from migrating upward, thus breaking this internal positive feedback cycle and significantly enhancing the efficiency and stability of PSCs. This work provides new perspectives for understanding the mechanism of photovoltaic performance loss and ionic transport in PSCs. [ABSTRACT FROM AUTHOR]

Nickel oxide (NiOX) has a crucial role in enhancing the efficiency and stability of p‐i‐n inverted perovskite solar cells (PSCs), which hold great potential for commercialization. However, improving contact passivation between perovskites and NiOX is a challenge due to a hindered buried interface. In order to address this issue, self‐assembled monolayers (SAMs) are introduced as a buffer layer to prevent direct contact and non‐radiative recombination. While, the large dipole moment of SAMs increases the work function of NiOX, which is crucial for enhancing hole transport performance, given the low interfacial potential barrier for hole transfer. By a combination of the first‐principles calculations, drive‐level capacitance profiling, and transient absorption spectrum characterization, the understanding of the ion‐dipole interactions and interface passivation mechanism of potassium fluoride (KF) ultra‐thin buffer layer between SAMs and perovskites is provided. The efficiency of inverted PSCs as high as 23.25% is obtained, and the unencapsulated devices kept 90% of initial efficiency following 1400 h aging under nitrogen, which demonstrate remarkable long‐term stability as well. This novel strategy highlights the significance of SAMs dipole moment at the NiOX/perovskites interface and provides a new approach to address buried interfaces for high‐efficiency and long‐term stability in inverted PSCs. [ABSTRACT FROM AUTHOR]

Polycrystalline silicon (poly‐Si) is essential in integrated circuits and microelectromechanical systems. In addition, poly‐Si is gaining attention for next‐generation display research with high thermal conductivity, stability, and versatile applications. Conventional fabrication methods for doping patterns involve complex lithography and chemical usage, which have raised environmental concerns. The study of novel methods is necessary for environmental friendliness and a significant simplification of the manufacturing processes. This study introduces a novel bipolar work function control technology utilizing deionized water (DI‐W) and nanonewton‐scale mechanical force using an atomic force microscope. The method is implemented with a mechanically induced SiOx layer on poly‐Si in DI‐W. The induced Si─OH and Si─O bonds decreases the work function, whereas a thicker SiOx layer with a high oxidation state increases the work function. Based on the magnitude of the applied force (26.73–75.24 nN) and additional DI‐W immersion, the induced bond and thickness of the SiOx layer are controlled. Therefore, bipolar work function control is achieved in the range of −0.25–+0.103 eV. In addition, the electrical characteristics of the fabricated p‐ and n‐type poly‐Si diodes are investigated. This method is eco‐friendly and enables bipolar doping patterns in a single process with high efficiency. [ABSTRACT FROM AUTHOR]

[Display omitted] • The surface modification can significantly raise the limiting potential with −1.24 V (Ti 2 NF 2) to −0.21 V (Ti 2 BSe 2). • hybridization of the σ 2 p and π* 2 p with Ti 3 d orbitals leads to the evident splitting and downshifting of the σ and π* orbitals. • The work function plays a crucial role to predict the NRR performance by the Gibbs free energy change of the rate-determining step, which can be regulated through the surface termination of MXenes. The electrochemical conversion of nitrogen to ammonia provides an encouraging method to substitute the traditional Haber-Bosch process, owing to its high efficiency and mild reaction conditions. The search for high-performance catalysts and comprehension of catalytic mechanisms remains significant challenges. Herein, we conduct a systematic theoretical calculation of the NRR performance and mechanism of 24 Ti 2 XT 2 (X = B, C, N; T = F, Cl, Br, I, O, S, Se, Te) MXenes with a T -vacancy to explore the influence of surface functional terminations and non-metallic center elements. Our findings demonstrate that surface functionalization significantly reduces the limiting potential by altering the rate-determining step. This change ranges from −1.24 V (Ti 2 NF 2) to −0.21 V (Ti 2 BSe 2), signifying the remarkable efficacy of modification of the surrounding environment of the exposed transition metal active center in promoting electrocatalytic performance. Detailed investigation of the charge density difference and orbital interaction reveals that the different NRR performance originates from the surface termination and non-metallic atoms regulate the electronic properties of the active Ti atoms. We also introduce the free energy change of *NNH 2 (Δ G *NNH2) as a descriptor to predict the performance of NRR, which exhibits satisfactory linear relationship with free energy change of different intermediates and displays favourable volcano plot with limiting potential. Moreover, we highlight the pivotal role of work function in tuning the energy barrier of the rate-determining step, which can be regulated through the surface modification of MXenes. Our study not only offers a comprehensive understanding of the crucial impact of surface modification on the catalytic activities of defective MXenes, but also provides a rational perspective for designing efficient NRR catalysts. [ABSTRACT FROM AUTHOR]

The structures and properties of the electric double layer (EDL) on zinc (Zn) anodes significantly influence the cycling and rate performance of aqueous Zn batteries (ZBs). Here, a strategy is reported to regulate the EDL structure through work function (Wf) engineering to effectively enhance the electrochemical performance of ZBs, which is enabled by electrolyte‐tailored growth of heterogenous metal with a large Wf on the Zn anode. The metal‐to‐metal charge transfer in heterostructured Zn metal induced by the disparity of Wf increases the surface charge density, which enriches the Zn ions and shortens the thickness of EDL. The compressed EDL weakens the repulsive force of Zn deposits to achieve a tightly stacked and dendrite‐free Zn deposition. Besides, the formed H2O‐deficient EDL structure enables the inorganic‐rich solid electrolyte interphase (SEI) with high Zn‐ion conductivity to inhibit the notorious parasitic reactions and improve the electrode reaction kinetics. Consequently, the Zn||Zn symmetric cells demonstrate an ultra‐long cycling life over 2700 cycles (the cumulative capacity reaches 5400 mA h cm−2) at a high current density of 50 mA cm−2. The Zn anodes show a high average Coulombic efficiency of 99.70% over 3650 cycles. The Zn||MnO2 full cells exhibit excellent practical‐level performance under cyclic continuous mode (3000‐cycle life at high rates) and cyclic intermittent mode (1170‐cycle life with 83.05% capacity retention). Practical pouch cells are also demonstrated with outstanding cycling performance. [ABSTRACT FROM AUTHOR]

In this work, a detailed investigation is done on the effectiveness of various spacer materials having different spacer lengths (LSP), in improving the performance of Dual-Material Gate-Junctionless FinFET (DMG-JLFinFET). Various performance metrics, such as Drain Induced Barrier Lowering (DIBL), Sub-threshold Swing (SS), ON current (ION), OFF current (IOFF), ratio of ION to IOFF (ION/IOFF), and tunneling current (Itunn), are closely monitored at gate lengths (Lg) down to 10 nm. DIBL degradation of 3.46 mV/V and SS degradation of 4.97 mV/dec are observed when Lg scales down from 30 nm to 10 nm. Except for the case of Itunn, other performance metrics improve with an increase in dielectric constant and length of spacer materials. The optimum performance of DMG-JLFinFET with a channel length of 10 nm is obtained when LSP is 5 nm. Enhancement in analog performance metrics is observed when high κ materials are used as spacers. Transconductance Generation Factor (TGF) improves from 35.86 V−1to 47.4 V−1 and intrinsic gain increases from 6.93 dB to 11.98 dB when high κ dielectric materials like TiO2 are incorporated as spacers in a DMG-JLFinFET. [ABSTRACT FROM AUTHOR]

In order to improve the NO gas sensitivity of h-MoS2, the effects of X（X = La, Ce, Pr, Nd） on the stability, adsorption characteristics, work function and V-I characteristics of h-MoS2 were studied by first principles. The results reveal that the formation energies of Mo substituted by X（X = La, Ce, Pr, Nd） are all negative, indicating that the doping system is easy to form and stable. Simultaneously, the Mulliken population of h-MoS2 after X doping is larger than that before doping, which also indicates that doping is conducive to the stability of the system. The adsorption energies of NO on the top of La and Ce are-1.215 eV,-1.225 eV, and the adsorption distances are 2.475 ?, 2.854 ? respectively, which has obvious chemical adsorption characteristics. In the meantime, Hirshfeld charges are 0.213e and 0.325e, respectively, which has obvious receptor characteristics and improves gas sensitivity. La and Ce doping can obviously change work function, which also indicates that La and Ce can improve the NO gas sensitivity of h-MoS2. The electric field can effectively improve the adsorption strength of Pr doping system, increase the Hirshfeld charge, and change the work function. Therefore, the effect of electric field on Pr doping system is obvious. By analyzing the V-I curves of the doping systems, the currents of La and Ce doping systems increase from 0 to 5.3 μA and 4.8 μA, respectively. However, the currents of Pr and Nd doping systems increase from 0 to 2.2 μA and 1.2 μA, respectively. Therefore, the influence of La and Ce doping on the sensitivity of the system is obvious. [ABSTRACT FROM AUTHOR]

To address the fundamental challenge of resource sustainability and to effectively deal with issues pertaining to supply chain resilience, cost efficiency, environmental impact, and the ability to meet specific local needs; there is an urgent need for high‐grade battery anode materials produced locally from readily available raw materials. In this work, synthesis of high‐quality graphitic carbon (GH) derived from human hair is demonstrated using an in‐house engineered reactor based on Joule's Flash heating method. The GH is characterized using various techniques to examine its chemical composition, particle morphology, crystallinity, and demonstrate its usability as an anode material for lithium‐ion batteries. Fabricated coin cell with active material exhibits a gravimetric capacity of 320 mAh g−1 at a current density of 30 mA g−1 (equivalent to a C rate of ≈0.1C) over the 100 cycles. The in situ and ex situ studies using XRD, Raman, XPS, and UPS techniques conclude that during the initial charge cycle for GH, lithium ions diffused into the electrode during the resting period are effectively removed. This not only improves the lithium inventory to start with but also mitigates subsequent solvent degradation during solid electrolyte interphase (SEI) formation. Thus, these improvements ultimately enhance the capacity of the anode to 500mAh g−1 at a current density of 20 mA g−1. The study offers the potential to initiate a new realm of research by redirecting the focus to a material once considered as mere waste. [ABSTRACT FROM AUTHOR]

Using the methods of secondary ion mass spectrometry, elastic peak electron spectroscopy, and Auger electron spectroscopy, the elemental and chemical composition of the surface and concentration profiles of the distribution of atoms over the depth of silicon implanted with ions with energy E0 = 1 keV at a dose of D = 6 × 1016 cm–2 were studied. It was found that oxides and suboxides of Si (SiO2, Si2O, and SiO0.5) were formed in the ion-doped layer, which also contained unbound O and Si atoms. Post-implantation annealing at 850–900 K led to the formation of a stoichiometric SiO2 layer ~25–30 Å thick. [ABSTRACT FROM AUTHOR]

Abstract The termination of surface‐dangling bonds on silicon through hydrogen atoms, also known as Si–H, can achieve chemical passivation and reduce surface states in the electronic bandgap, thus altering electronic properties. Through a comprehensive study of doping levels (1014–1020 cm−3) and types (n and p), a consistent surface dipole trend induced by Si–H termination is discovered. It is achieved by redistributing surface charges and establishing thermal equilibrium with the chemical bond. To resolve this, the surface work function, surface electron affinity, and the energy difference between the valence band and the Fermi level are measured by employing the Kelvin probe, X‐ray photoelectron spectroscopy, and photoelectron yield spectroscopy methods. These findings are further validated through ab initio simulations. This finding has immense implications not only for eliminating electronic defects at semiconductor interfaces, which is crucial in microelectronics but also for developing and engineering hybrid interfaces and heterojunctions with controlled electronic properties.

The CdTe thin film solar cells suffer power losses at the back contact due to charge losses due to poor mismatch of the work function of interfacing back contact materials. Thus, there is a need to find appropriate back contact materials that do not reduce cell performance by creating large Schottky barriers. One of the established strategies employed to reduce the barrier height is depositing metal(s) with high work function to the CdTe back surface. In this study, we used the average of the commonly reported values of the work function of metals, to investigate the effects of various metals, when used as back contacts, on the performance of CdTe solar cells. Without any other strategy employed to overcome the Schottky contacts, the solar cells' efficiency is gravely diminished when metals with work functions lower than 5.0 eV are used. While metals like Pt, Pd, and Au with very high work functions produce cells with efficiencies of up to 18.6%, lower work functions metals like Al almost completely diminished the efficiency to less than 0.5%. our findings indicate that the Schottky barrier affects mainly Voc and FF, as Jsc showed only a slight reduction. When subjected to extreme operating temperatures, the efficiencies largely decreased with temperature. Temperature coefficients of -0.3 to -0.45/oC have been obtained, for the highest-performing metals.

In this work, various physicochemical properties are investigated in nanostructured WOx thin films prepared by radio-frequency magnetron sputtering for optoelectronic applications. A glancing angle of 87° is employed to grow films of different thicknesses, which are then exposed to post-growth annealing. Detailed local probe analyses in terms of morphology and work function of WOx films are carried out to investigate thickness-dependent property modulations of the as-deposited and annealed films. The analyses show a reasonably good correlation with photoelectron spectroscopic measurements on the films and the bulk I–V characteristics acquired on a series of WOx/p-Si heterojunction diodes. The presence of a critical WOx thickness is identified to regulate the rectification ratio values at the WOx/p-Si heterostructures and increase in series resistance within the bulk of the films. The present study provides valuable insights to correlate optical, electrical, and structural properties of WOx thin films, which will be beneficial for fabricating WOx-based optoelectronic devices, including photovoltaic cells.

The efficiency of hydrogen negative ion production in negative ion sources depends on the work function of the molybdenum surface. Deposition of cesium (Cs) atoms on the Mo surface reduces the work function from over 4.0 eV to about 1.50–1.80 eV. However, the Fermi level remains below the affinity level (−0.75 eV) of hydrogen negative ions. To explore further reduction methods, the work function of Cs co-adsorbed with fluorine on the Mo (001) surface was studied using DFT calculations. The results show that at 4/16 θ Cs coverage, adding fluorine can reduce the work function, achieving the lowest value of 1.40 eV at 8/16 θ F coverage. Analysis reveals a significant vacuum-inward dipole moment with fluorine-Cs co-adsorption, favorably reducing the work function. However, fluorine’s strong electronegativity also creates a surface-directed dipole moment, increasing the work function. Introducing fluorine is beneficial only at 4/16 θ Cs coverage, indicating that precise control of Cs coverage is necessary to achieve lower work functions.

A simple approach dealing with thermal oxidation at atmospheric pressure was used to synthesize copper oxide nanowires (CuO-NWs) on copper substrate. The vertically oriented CuO-NWs were used for further subjected to deposition of ultrathin layer (∼20 nm) of lanthanum hexaboride (LaB 6) using the electron beam evaporation technique. The observation of the characteristic vibrational mode of LaB6 in the Raman spectrum of LaB6-coated CuO-NWs (LaB6@CuO-NWs) revealed the existence of LaB6 in the deposited sample. Furthermore, confirmation of LaB6 coating on CuO-NWs was corroborated by X-ray photoelectron spectroscopy (XPS) analysis. The field electron emission (FEE) characteristics of pristine CuO-NWs and LaB6@CuO-NWs were investigated in a planer diode geometry at a base pressure of ∼ 1 × 1 0 − 8 mbar. The values of turn-on and threshold fields (defined at emission current density of 1 and 10 μ A/cm2, respectively) were found to be 5.4 V/ μ m and 1.6 V/ μ m (for pristine CuO-NWs emitter) and 6.75, and 2.85 V/ μ m (for LaB6@CuO-NWs emitter). Interestingly, a noticeably large emission current density of ∼ 1 6 7 5 μ A/cm2 has been extracted from the LaB6@CuO-NWs emitter at a relatively lower applied field of 5.8 V/ μ m. The Fowler–Nordheim (FN) plots of both the emitters showed nonlinear behavior, indicative of their semiconductive nature. Furthermore, both the emitters showed relatively stable emission behavior tested at a pre-set value of 1 μ A more than 3 h. The enhanced FEE behavior of LaB6@CuO-NWs emitter is attributed to the modulation of electronic properties due to LaB6-CuO interface-induced effects. Although the promising FEE behavior of LaB6@CuO-NWs emitter warrants its potential for practical applications, further improvement can be achieved via fabricating an array emitter due to CuO NWS and optimizing the thickness of LaB6 coating. [ABSTRACT FROM AUTHOR]