Work Function Values Research Articles

Bi‐Doped In2O3 Nanofiber for Efficient Electrocatalytic CO2 Reduction

AbstractElectrocatalytic carbon dioxide reduction reaction (CO2RR) to formic acid (HCOOH) is attracted for superfluous CO2 removal and HCOOH production under ambient conditions. Indium‐based catalysts has considered as a good candidate material for CO2RR to HCOOH due to their environmentally friendly features. However, the catalytic efficiency is limited by the poor HCOOH Faradaic efficiency (FE) and high reaction overpotential of electrocatalyst, and the activity and stability of indium‐based catalysts are unsatisfactory, especially in industrial current density that is critical for commercialization. Herein, a fiber Bi‐doped In2O3 was synthesized through electrospinning method, and it demonstrate a FEHCOOH of 88.2% at −1.5 V versus RHE (reversible hydrogen electrode) with partial current density of −21.8 mA cm−2 in H type cell. Specially, the Bi‐In electrocatalyst also reach the industrial current density standard, which can work at −400 mA cm−2 current density with FEHCOOH of 92.7% (yield of HCOOH is 6.9 mmol h−1) in home‐made Flow cell. Importantly, Bi‐In shows 24 h long‐term stability test in −300 mA cm−2. The improvement catalytic activity of Bi‐In catalyst is ascribed to the optimized electronic structure of In site, and the reduced work function value of Bi‐In is beneficial for reducing the formation energy of the key *OCHO intermediates.

Ambient Stability of Sodium-Doped Copper Oxide Obtained through Thermal Oxidation.

The ambient stability of copper oxide layers produced through thermal oxidation is a critical factor for their application in advanced photovoltaic devices. This study investigates the long-term stability of thermally grown sodium-doped copper oxides fabricated at 300 °C, 500 °C, and 700 °C. The structural, optical, and electronic properties of these oxide layers were examined after a 30-day period to understand how thermal oxidation temperature and sodium doping influence the durability and properties of copper oxide films. The results indicate that the stability of thermal copper oxide increases with oxidation temperature. The film produced at 700 °C maintained consistent optical properties, work function value, and structural integrity over time, demonstrating their robustness against environmental degradation. In contrast, the layers produced at lower temperatures (300 °C and 500 °C) showed more significant changes due to continued oxidation and adsorption from ambient.

High sensitivity of nitrobenzene on the ZnO monolayer and the role of strain engineering

Volatile organic compounds (VOCs) emissions have been a recurring problem that has challenged research centers to find new ways to monitor them. From this perspective, this work investigates nitrobenzene sensing through computational simulations, a well-known toxic compound, using the strained and strain-free two-dimensional (2D) ZnO monolayer, a traditional metal oxide semiconductor (MOS). The results indicate that nitrobenzene is adsorbed via strong physisorption on the 2D ZnO and maintains interaction with the sensor under thermal stimulus (500 K), as demonstrated via ab initio molecular dynamics (AIMD) simulations. The nitrobenzene also changes the ZnO band gap energy from 4.59 to 1.85 eV and shifts 0.35 eV the work function value. Under biaxial strain, the nitrobenzene becomes chemisorbed on the ZnO monolayer. Also, remarkable conductivity changes are observed with the nitrobenzene adsorption on the strained ZnO. Excellent values of sensitivity are found, 2.29 × 1023, 8.11 × 1022 and 2.80 × 1016 for strain-free ZnO and the maximum compressed and stretched ZnO monolayer, respectively. Short recovery times of 1.16 × 10−4 s (T = 300 K) and 6.89 × 10−8 s (T = 500 K) are also found for strain-free ZnO monolayer, indicating a great reusability for nitrobenzene. Consequently, the ZnO monolayer can be used to detect nitrobenzene.

Comment on “Tunneling-tip-induced collapse of the charge gap in the excitonic insulator Ta2NiSe5 ”

In this study, we investigate the discrepancy between the estimate of Q. He [], who observed a remarkable collapse of the exciton gap in Ta2NiSe5 due to the electrostatic field between the scanning tunneling microscope (STM) tip and the sample, and that of a recent angle-resolved photoemission spectroscopy investigation [C. Chen , ]. It is proposed that a critical factor contributing to this discrepancy is due to He 's assumption of a constant work function of the STM tip. This assumption led to an underestimation of the tip-induced electric field. Using a literature value for the sample work function, a more substantial electric field strength is obtained, which resolves the apparent conflict between the doping estimates of these two techniques. Furthermore, our findings highlight the importance of the STM tip condition, which can significantly impact the tip work function and, consequently, influence the doping estimation in experiments involving tip-induced electric fields. Published by the American Physical Society 2024

Support work-function dependent Fenton-like catalytic activity of Co single atoms for selective cobalt(IV)=O generation

In Fenton-like reactions, high-valent cobalt-oxo (CoIV=O) has attracted increasing interests due to high redox potential, long lifetime, and anti-interference properties, but its generation is hindered by the electron repulsion between the electron rich oxo- and cobalt centers. Here, we demonstrate CoIV=O generation from peroxymonosulfate (PMS) activation over cobalt single-atom catalysts (Co-SACs) using in-situ Co K-edge X-ray absorption spectra, and discern that CoIV=O generation is dependent on the support work-function (WF) due to the strong electronic metal-support interaction (EMSI). Supports with a high WF value like anatase-TiO2 facilitate the binding of PMS-terminal oxo-ligand to Co sites by extracting Co-d electrons, thus decreasing the generation barrier for the critical intermediate (Co-OOSO32−). The Co atoms anchored on anatase-TiO2 (Co-TiO2) exhibited enhanced CoIV=O generation and superior activity for sulfamethoxazole (SMX) degradation during PMS activation. The normalized steady-state concentration of CoIV=O in Co-TiO2/PMS system was three orders of magnitude higher than that of free radicals, and 1.3- to 11-fold higher than that generated in other Co-SACs/PMS systems. Co-TiO2/PMS sustained efficient removal of SMX with minimal Co2+ leaching under continuous flow operation, suggesting its attractive water purification potential. Overall, these results underscore the significance of support selection for enhanced generation of high-valent metal-oxo species and efficient PMS activation in supported metal SACs.

Exploration of DNA nucleotide adsorption on GeTe monolayer through DFT analysis

DNA nucleobase sensors provide crucial information for diagnosing diseases, analyzing genetics, and advancing biological research by detecting and identifying DNA sequences in real-time. This research examined how GeTe monolayer interact with DNA nucleobases through adsorption. The adsorption strengths of the four bases on the adsorbent surface followed the order of G > C > T > A. Analysis of electronic properties indicated that the interaction between nucleobases and GeTe primarily involves physical adsorption. Additionally, higher adsorption energies led to greater rearrangement of surface electrons and changes in the adsorbent's potential barrier, resulting in significant variations in the work function (WF) value. The desorption times at 498K were A (0.02 h), G (15.8 h), C (0.72 h), and T (0.43 h), indicating the potential of GeTe as a reusable material for nucleobase sensors. We can amplify the adsorption strength (30 %–45 %) and improve the discrimination between nucleobases (208 %–808 %) by employing solvents possessing higher dielectric constants. Comparisons with recent research validated the superior adsorption performance and selectivity of the material used in this study, highlighting the promising application of the GeTe monolayer in nucleobase sequencing technology.

Density Functional Theory-Based Indicators to Estimate the Corrosion Potentials of Zinc Alloys in Chlorine-, Oxidizing-, and Sulfur-Harsh Environments.

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.

Carrier mobility and broadband performance of two-dimensional Sb/SnSe van der Waals heterostructure: A first-principles study

Compared to single two-dimensional (2D) materials, stacking layered 2D materials with van der Waals (vdW) heterostructures offers novel opportunities to achieve desired exotic properties. Herein, 2D Sb/SnSe vdW heterostructure is constructed by vertically stacking the antimonene (Sb) monolayer on the tin selenide (SnSe) monolayer. We have conducted a theoretical study by using the first-principles calculations to comprehensively examine the electronic, optical, and mechanical properties. Phonon dispersion and ab initio molecular dynamics simulations have demonstrated that the Sb/SnSe vdW heterostructure possesses remarkable stability, ensuring its robustness up to 900 K. The Sb/SnSe vdW heterostructure is characterized as a semiconducting material with a direct band gap of 0.24 eV, calculated by the Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional method. Compared to the pristine Sb and SnSe monolayers, the Sb/SnSe vdW heterostructure exhibits a lower work function value of 3.82 eV. Furthermore, the carrier mobility of the heterostructure demonstrates anisotropic characteristics with a notable improvement in hole-mobility (12.05 × 103 cm2V−1s−1) along the y-direction. The Sb/SnSe vdW heterostructure shows enhanced broadband absorption spectra, especially in the visible to near-infrared ranges. Our findings underscore the potential of the Sb/SnSe vdW heterostructure for future nano-electronic and optoelectronic technologies.

Synthesis, physico-chemical characterization, DFT simulation, and field electron behaviour of 2D layered Ti3C2Tx MXene nanosheets

Nanostructures of Ti3C2Tx, one of the members of the MXenes family, have been successfully prepared by chemical etching of Al from Ti3AlC2 (MAX phase) using Hydrofluoric Acid (HF) for various etching durations at room temperature. The phase, morphological, structural, and chemical analysis was performed using XRD, FESEM, TEM, Raman, and x-ray photoelectron spectroscopy. The surface morphology of as-synthesized Ti3C2Tx (MXene) phase is characterized by stacks of layered sheets like structures. Field electron emission (FEE) behaviour was investigated at the base pressure of 1 × 10−8 mbar. The pristine Ti3AlC2 (MAX) and Ti3C2Tx (MXene) nanosheets emitters showed values of turn-on field (defined at current density ∼ 1 μA cm−2) as 4.18 and 1.67 V μm−1, respectively. Furthermore, maximum emission current density of ∼ 825 μA cm−2 was extracted from the MXene nanosheets emitter at an applied field of 3.60 V μm−1, in contrast to ∼71 μA cm−2 drawn at 7.31 V μm−1 from the pristine MAX emitter. The MXene nanosheets emitter exhibited good emission current stabilities at pre-set values ∼ 10 and 100 μA over 3 h duration. Work function values of the MAX and MXene nanosheets emitters were measured using a retarding field analyzer, and found to be 4.4 and 3.6 eV, respectively. Extensive ab-initio simulations have been performed to provide structural and electronic properties, as well as for estimating the work function of Ti3C2 layered material. The estimated electronic density of states revealed its metallic character. The improved FEE performance exhibited by the 2D layered Ti3C2Tx (MXene) nanosheets emitter is attributed to its unique morphology characterized by high aspect ratio, metallic electronic properties and relatively lower work function.

Energetic, electronic structure and work function of the (0001), (10 [formula omitted] 0), and (11[formula omitted] 0) BaAl2O4 surfaces; A first-principles study

In this study, the GGA-PBE method was applied to explore the electronic structure and properties of the BaAl2O4 surfaces. We found that the most stable surfaces are non-polar surfaces containing Ba and O atoms in their outermost layers. From an energetic point of view, the surface energy of these surfaces is arranged as follows; γ(101‾0)<γ(0001)<γ(112‾0). The electronic structure of each surface is discussed in detail through PDOS curves and particular interest has been devoted to the origin of surface states. On the other hand, our results showed that the work function value of BaAl2O4 strongly depends on the nature of its surface termination. These results revealed that the BaO-terminated (101‾0) and (0001) surfaces have work function values of 0.95 eV and 0.8 eV and negative electron affinities (NEA) of −0.3eV and −0.56eV, respectively. Based on these results, we suggest that BaAl2O4 may be a good candidate for use in thermionic converters and electron-emission devices.

Hydrogen adsorption, desorption, sensor and storage properties of Cu doped / decorated boron nitride nanocone materials: A density functional theory and molecular dynamic study

The hydrogen storage and sensor properties of Cu-modified boron nitride nanocone (BNNC) structure were comprehensively investigated using the density functional theory method (DFT). By replacing nitrogen atoms with copper atoms on the BNNC structure, the hydrogen molecule's adsorption enthalpy and Gibbs free energy values were calculated as −48.6 and −16.9 kJ/mol, respectively. 4 Cu-doped BNNC structure achieved a notable hydrogen storage capacity of 5.38 wt%. The molecular dynamics calculations demonstrate that the structure modified with four Cu atoms maintains its dynamic stability. Furthermore, this study reveals that the desorption temperatures tend to rise with an increase in the number of adsorbed hydrogen molecules, and the average desorption temperature under 1 atm pressure is determined to be 332 K. The changes of work function values after hydrogen adsorption point out that the Cu-modified BNNC has Φ-sensor feature. Overall, Cu-modified BNNC structures show promising potential as hydrogen storage materials in ambient conditions.

Selective adhesion of nitrogen-containing toxic gasses on hexagonal boron phosphide monolayer: a computational study.

Various toxic gasses are being released into the environment with the increasing industrialization. However, detecting these gasses at low concentrations has become one of the main challenges in environmental monitoring and protection. Thus, developing sensors with high performance to detect toxic gasses is of utmost significance. For this purpose, researchers have introduced 2D materials thanks to their unique electronic qualities and large specific surface area. Within this piece of research, a hexagonal boron phosphide monolayer (h-BPML) is employed as the substrate material. The adhesion behavior of ambient nitrogen-containing toxic gasses, i.e., N2O, NH3, NO2, and NO, onto the h-BPML is investigated through DFT computations. The adhesion energy values for gasses NO and NO2 were calculated to be - 0.509 and - 0.694 eV on the h-BPML, respectively. Meanwhile, the absorbed energy values for gasses NH3 and N2O were found to be - 0.326 and - 0.119 eV, respectively. The recovery time, DOS, workfunction, and Bader charges were computed based on four optimal adhesion structures. After the absorption of NO on the h-BPML, the value of workfunction of a monolayer decreased from 1.54 to 0.47 eV. This amount of decrease was the greatest among the other gasses absorbed. By comparing the investigated parameters, it can be concluded that the h-BPML has a greater tendency to interact with NO gas compared to other gasses, and it can be proposed as a sensor for NO gas. Within this piece of research, the sensitivity of the h-BPML to four nitrogenous toxic gasses, namely, N2O, NH3, NO2, and NO, was investigated using the DFT with HSE06 hybrid functional by using GAMESS software. For this purpose, we computed the DOS, workfunction, and the Bader charges for the four adhesion systems with most stability.

Direct Work Function Measurement Using in-situ Ambient Pressure X-ray Photoemission Spectroscopy and Its Application on Copper Oxidation Process.

The work function (WF) measurement plays a critical role in engineering energy materials and energy devices. However, the ultra-high vacuum (UHV) environments of photoemission method limit the practical application for absolute work function measurements of materials, especially under complex working conditions. To understand the energy level of materials under complex chemical environments, the in-situ measurements of work function is necessary in complex metal/semiconductor system for various application. In this paper, we describe the utilization of ambient pressure X-ray photoemission spectroscopy (APXPS) with utilization of low photon energy X-ray for absolute WF measurements at BL02B of the Shanghai Synchrotron Radiation Facility. We herein present the WF measurement during oxygen adsorption on Pt(111) and oxidation of Cu(111) in ambient oxygen environment as demonstration of the APXPS capability for WF measurement. After oxygen chemisorption on Pt and formation of Cu2O, the WF will increase. This is due to charge transfer from metal to chemisorbed oxygen atoms. After the formation of bulk Cu2O and CuO, the WF value almost remain at ~5.5 eV. We believe the direct measurement of absolute work function via APXPS could help bridge the gap between the physical properties and the surface chemical species for metal/semiconductor materials.

Direct evidence of low work function on SrVO3 cathode using thermionic electron emission microscopy and high-field ultraviolet photoemission spectroscopy

Perovskite SrVO3 has recently been proposed as a novel electron emission cathode material. Density functional theory (DFT) calculations suggest multiple low work function surfaces, and recent experimental efforts have consistently demonstrated effective work functions of ∼2.7 eV for polycrystalline samples, both results suggesting, but not directly confirming, that some fraction of even lower work function surface is present. In this work, thermionic electron emission microscopy (ThEEM) and high-field ultraviolet photoemission spectroscopy (UPS) are used to study the local work function distribution and measure the work function of a partially oriented- (110)-SrVO3 perovskite oxide cathode surface. Our results show direct evidence of low work function patches of about 2.0 eV on the cathode surface, with a corresponding onset of observable thermionic emission at 750 °C. We hypothesize that, in our ThEEM and UPS experiments, the high applied electric field suppresses the patch field effect, enabling the direct measurement of local work functions. This measured work function of 2.0 eV is comparable to the previous DFT-calculated work function values of the SrVO-terminated (110) SrVO3 surface (2.3 eV) and SrO-terminated (100) surface (1.9 eV). The measured 2.0 eV value is also much lower than the work function for the (001) LaB6 single crystal cathode (∼2.7 eV) and comparable to the effective work function of B-type dispenser cathodes (∼2.1 eV). If SrVO3 thermionic emitters can be engineered to access domains of this low 2.0 eV work function, they have the potential to significantly improve thermionic emitter-based technologies.

N-Heterocyclic Carbene Monolayers on Metal-Oxide Films: Correlations between Adsorption Mode and Surface Functionality.

N-Heterocyclic carbene (NHC) ligands have been self-assembled on various metal and semimetal surfaces, creating a covalent bond with surface metal atoms that led to high thermal and chemical stability of the self-assembled monolayer. This study explores the self-assembly of NHCs on metal-oxide films (CuOx, FeOx, and TiOx) and reveals that the properties of these metal-oxide substrates play a pivotal role in dictating the adsorption behavior of NHCs, influencing the decomposition route of the monolayer and its impact on work function values. While the attachment of NHCs onto CuOx is via coordination with surface oxygen atoms, NHCs interact with TiOx through coordination with surface metal atoms and with FeOx via coordination with both metal and oxygen surface atoms. These distinct binding modes arise due to variances in the electronic properties of the metal atoms within the investigated metal-oxide films. Contact angle and ultraviolet photoelectron spectroscopy measurements have shown a significantly higher impact of F-NHC adsorption on CuOx than on TiOx and FeOx , correlated to a preferred, averaged upright orientation of F-NHC on CuOx.

Surface properties and work function of ZrB2 single crystal

In this study, the surface convergence, surface energy, and work function on various crystal facets of ZrB2 were investigated by using the density functional theory calculations. Zr-terminated surface exhibits is more stable than the B-terminated surface. The electronic structure calculation reveals that ZrB2 exhibits metallic property, and the high density of states near the Fermi level is mainly composed of Zr-d and B-p orbitals. The work function values of the Zr-terminated (0001), (101¯0), (112¯0), and (112¯1) surfaces of ZrB2 are 4.52, 3.83, 4.00, and 2.56 eV, respectively. We found that the surface energy and work function of ZrB2 (112¯1) are the lowest compared to ZrB2 (0001), (101¯0) and (112¯0) surfaces, exhibiting good surface energy stability and providing excellent electron emission performance. This work provides valuable theoretical guidance for the exploration of ZrB2 as a novel cathode material for electron emission.

First-principles study of adsorption, dissociation, and diffusion of hydrogen on α-U (110) surface

According to the equilibrium crystal shape of α-U, the surface of α-U (110) is more stable and has a larger area fraction than α-U (001). Therefore, the adsorption, dissociation, and diffusion behaviors of H atoms and H2 molecules on the α-U (110) surface were systematically studied by first-principles calculations. The results show that there are only two stable adsorption sites for the H atom: the surface short-bridge site (SB1) and the subsurface short-bridge site (SB2). The adsorption of H2 molecules is divided into chemical adsorption of dissociated H2 molecules and physical adsorption of undissociated H2 molecules, and the LB2-ParL adsorption configuration is the most stable adsorption configuration for H2 molecule adsorption, with an adsorption energy of −0.250 eV. The work function and charge transfer show that adsorption of the H atom or H2 molecule leads to an increase in the work function value of the α-U (110) surface, which enhances the electronic stability of the α-U (110) surface. The projected density of states shows that when the H atom or H2 molecule is close to the α-U (110) surface, the 1s orbital electrons of the H atom will hybridize with the 5f/6d orbital electrons of the nearby surface and subsurface U atoms, and new hybridized orbital peaks appear near the −4.5 eV or −7.3 eV energy level. The climbing image nudged elastic band study shows that the surface free H atoms are very easy to diffuse between the surface short-bridge sites and the subsurface short-bridge sites but the diffusion between the short-bridge site and the triangular center site is extremely difficult.

Achieving 24.6 % efficiency in 2D perovskite solar cells: Bandgap tuning and MXene contact optimization in (BDA)(MA)n−1PbnI3n+1 structures

In the midst of the growing emphasis on renewable energy sources, there is an urgent requirement for materials that are devoid of lead and non-toxic, aligning with the demands of the 21st century. In this regard, the perovskite solar cells present themselves as a compelling option, offering cost-effectiveness and non-toxic nature. Nevertheless, these 3D perovskite materials encounter stability challenges. To mitigate these issues, 2D DJ (Dion Jacobson) perovskite material-based solar cells are increasingly utilized in contemporary applications. In this work, (BDA)(MA)n−1PbnI3n+1-based 2D DJ perovskite solar cells (BDPSC) are investigated. Further, it is crucial to use proper contact with BDPSC in order to eliminate the pinhole effect. Therefore, in this study, MXene contacts have been employed with BDPSC to combine the benefits of both, resulting in enhanced stability, superior charge transport, and tunable energy levels without pinhole effects. Further, the bandgap of the BDA active layer is adjusted by varying the number of inorganic layers (n) from 1 to 6 within the (BDA)(MA)n−1PbnI3n+1. Firstly, the thickness of the BDA active layer along with different MXene are varied for all the possible compositions of the (BDA)(MA)n−1PbnI3n+1. The result shows that the optimized thickness for the BDA layer is 1 µm, and the work function value of the left/right contact MXene is 3.56/5.65 eV. Additionally, this work also investigates the influence of grading on the PV performance of BDPSC. The result shows that the reported BDPSC can deliver a maximum open circuit voltage (VOC) is 1.18 V, short circuit current density (JSC) is 24.58 mA/cm2, Fill Factor (FF) is 84.96 % and efficiency is 24.58 %.

Pt, Pd and Au decorated reduced graphene oxide: Sensing properties for phenol gas detection at room temperature

The adsorbent and sensor properties of metal decorated (Pt, Au and Pd) reduced graphene oxide (rGO) structures for phenol gas were investigated using Density Functional Theory (DFT) method with WB97XD formalism. The NBO charge values suggest the occurrence of charge transfer from the phenol molecule to the rGO structures. After the adsorption of phenol, the HOMO-LUMO gap values of the Pt-decorated rGO structure were observed to decrease, while the work function values of the Pt-decorated rGO structure were found to increase. The recovery time for phenol molecule on the Pt-rGO structure was determined to be 0.0019 seconds. These results imply that the Pt-decorated rGO structure can function as a work function sensor in addition to an electronic sensor for phenol gas molecule.

Non-covalent functionalized Schottky interface at Ti3C2Tx/c-Si van der Waals heterojunction

Synergistic interaction between 2D materials and organic molecules presents an additional dimension for tuning their intrinsic properties. Herein, we aim totune the work function of 2D Ti3C2Txby introducing ultrathin interlayers of organic dipoles (O.D.) with a defined dipole moment value. Interface engineering is achieved through the inclusion of poly(ethylene)amine (PEI 0.1 %) and third generation poly(amido-)amine (PAMAM G3), between the Ti3C2TXand c-Si. c-Si/O.D./Ti3C2Tx heterostructures were fabricated by simple drop casting of the aqueous MXene solution on O.D. coated c-Si substrates. Charge transport properties of the fabricated Schottky diodes with structure of c-Si/O.D./Ti3C2TXwere evaluated through systematic analysis of the I-V and C-V characteristics. Our investigations reveal that diodes featuring O.D. as interlayers exhibit substantially reduced reverse saturation current density (J0) and enhanced built-in potential (Vbi).Work function of the fabricated c-Si/MXene/O.D. structures were evaluated from the ultraviolet photo-emission spectroscopy (UPS) measurements. We report a significant reduction in the work function value of Ti3C2Txfrom 5.8 eV to 4.2 eV for Ti3C2Tx/PEI 0.1 % and 3.3 eV for Ti3C2Tx/PAMAM-G3 heterostructures. Our studyintroduces an innovative approach for modifying the work function of Ti3C2Tx through the incorporation of O.D., highlighting the versatility of MXene electrodes to shape the future optoelectronic devices.