Te Doping Research Articles

Electronic and thermal transport engineering of a highly earth-abundant and low-cost Sn-based thermoelectric material

Tin monosulfide (SnS), composed of abundant, low-cost, and environmentally friendly elements, has garnered significant attention in the field of thermoelectrics due to its analogous electron and phonon transport properties to SnSe. However, undoped SnS exhibits a limited charge carrier concentration, resulting in poor electrical conductivity. In this study, a dual doping approach was employed, introducing both cationic (Na and Pb) and anionic (Se and Te) dopants into polycrystalline SnS. This approach yielded a notable enhancement in electrical properties and a reduction in thermal conductivity. As a result of these modifications, the figure of merit (zT) reached 0.38 at approximately 525 K. Specifically, the power factor increased to 2.25 μWcm−1K−2, while the total thermal conductivity was reduced to 0.3 Wm−1K−1. These findings highlight the potential of synergistic cation and anion doping strategies to significantly improve the thermoelectric performance of SnS at relatively lower temperatures, offering a pathway for further exploration of cost-effective thermoelectric materials based on SnS.

(Invited) Ultrathin Gap Nanoantenna: Crystal Phase Transitions and Luminescent Properties

We report Te-doped GaP nanowires (NWs) with positive tapering and radii measuring as low as 5 nm grown by the self-assisted vapor-liquid-solid mechanism using selective-area molecular beam epitaxy. The occurrence of the ultrathin nanoantenna showed a dependence on pattern pitch (separation between NWs) with a predominance at 600 nm pitch, and exhibited radius oscillations that correlate with polytypic zincblende/wurtzite segments. A growth model explains the positive tapering of the NW leading to an ultrathin tip from the suppression of surface diffusion of Ga adatoms on the NW sidewalls by Te dopant flux. The model also provides a relationship between the radius modulations and the oscillations of the droplet contact angle, predicting the quasi-periodic radius oscillations and corresponding crystal phase transitions. The GaP NWs showed strong low temperature micro-photoluminescence exciton-related emission, indicating a bandgap difference between the zincblende/wurtzite segments, with phonon replicas due to the transverse optical phonon mode. These results establish a link between dopants and the ability to control NW morphology, crystal phase and luminescent properties with possible applications in thermoelectrics, quantum emitters and photodetectors.

Chalcogen Doping in SnO2: A DFT Investigation of Optical and Electronic Properties for Enhanced Photocatalytic Applications.

Tin dioxide (SnO2) is an important transparent conductive oxide (TCO), highly desirable for its use in various technologies due to its earth abundance and non-toxicity. It is studied for applications such as photocatalysis, energy harvesting, energy storage, LEDs, and photovoltaics as an electron transport layer. Elemental doping has been an established method to tune its band gap, increase conductivity, passivate defects, etc. In this study, we apply density functional theory (DFT) calculations to examine the electronic and optical properties of SnO2 when doped with members of the oxygen family, namely S, Se, and Te. By calculating defect formation energies, we find that S doping is energetically favourable in the oxygen substitutional position, whereas Se and Te prefer the Sn substitutional site. We show that S and Se substitutional doping leads to near gap states and can be an effective way to reduce the band gap, which results in an increased absorbance in the optical part of the spectrum, leading to improved photocatalytic activity, whereas Te doping results in several mid-gap states.

Substitution of an isovalent Te-ion in SnSe thin films for tuning optoelectrical properties

In present work, SnSe1-xTex thin films with varying Te concentrations were deposited on glass substrate through thermal evaporation technique. SnSe1-xTex thin films were characterized using X-ray diffraction (XRD), atomic force microcopy (AFM), X-ray photoelectron spectroscopy (XPS), UV–Vis NIR spectroscopy and room-temperature hall measurements technique. XRD patterns revealed that all the samples had a polycrystalline orthorhombic structure. Additionally, a low level of Te impurity improved the crystalline quality of the SnSe thin films. AFM images showed a noticeable alteration in the surface structure of the SnSe thin films caused by Te doping. UV–Vis NIR spectroscopy was employed to assess the optical characteristics of SnSe1-xTex thin films, revealing a variation in the optical band gap energy (Eg) between 1.75 and 1.89 eV, attributed to Te doping. The Hall effect measurement revealed n-type conductivity, and the carrier concentration decreased as the Te dopant concentration increased, corresponding to a decrease in antisite SnSe defects. The experimental findings suggest that adding a moderate amount of Te is a beneficial method for enhancing the optical and electrical properties of SnSe films. Furthermore, the Schottky device parameters of the Ag/SnSe1-xTex/Al:ZnO structure were established by analyzing the temperature-dependent Current-Voltage (I–V-T) characteristics through the thermionic emission current transport mechanism.

Fermi energy modulation by tellurium doping of thermoelectric copper(I) iodide

Copper(I) iodide (CuI) is the leading inorganic p-type transparent conductor, attracting major attention for its promising optoelectronic properties and facile growth methods, although, commercial uptake is limited due to its as-of-yet insufficient electrical conductivity. Doping CuI with the chalcogens (O, S, Se, Te) is a viable route to tune its electrical conductivity for applications such as in thin film transistors, hole transport layers in solar cells, and transparent thermoelectric generators. The heaviest chalcogen element, Te, is yet to be explored in heavily intrinsically p-type doped CuI at non-alloying concentrations, the subject of the present work. We report the effects of tellurium at the boundary between the doping and alloying regime (up to a maximum of 2.4 % Te) in CuI thin films and investigation the variation in the thermoelectric properties and electronic band structure of the material. Ion implanting tellurium into CuI led to a progressive reduction in the films' work functions from 4.9 eV to 4.5 eV while the ionization potential remained unchanged, measured through photoemission spectrometry. This signified a modulation of the Fermi energy relative to the valence band edge, having a major effect on the materials' electrical conductivity and Seebeck coefficient, the former decreasing by 3 orders of magnitude, while the latter increased by 80 %. We conducted density functional theory (DFT) calculations to elucidate the effect of tellurium doping on the band structure of CuI. Tellurium doping corroborated the shift of Fermi energy, the incorporation of impurity acceptor states deeper into the band gap, in addition to disordering the valence band maximum. This work shows that, the Fermi energy in heavily p-type doped CuI can be moved away from the valence band through Te doping in addition to introducing band disorder, useful for controlling the hosts’ transport properties.

Theoretical study on noninvasive detection of COPD disease exhaled gas molecules using N doped tellurene

Medical studies have shown that the concentration of NO2 exhaled by patients with obstructive pneumonia is significantly higher than that of healthy individuals. This study employs density functional theory (DFT) calculations to theoretically investigate the sensing performance of N or Pt elements doped tellurene structures for NO2 detection. Promising rapid early screening for this disease. The results indicate that doping enhances the electrical performance of tellurene structures, and N doping demonstrates superior advantages. Based on the changes in bandgap before and after gas adsorption, which directly affect the conductivity, a significant change in the electrical signal can be generated, providing sufficient detectable electrical response. Simultaneously, based on the N–Te doping structure and the interaction with NO2 gas, it is physical adsorption. Increasing the temperature can accelerate the desorption of gas molecules, which is beneficial for the reuse of the detection material. The research findings indicate excellent selectivity of NO2 gas over interfering gases (N2, O2, H2O, and CO2) during competitive adsorption. Furthermore, the N–Te doped structure significantly improves the adsorption efficiency for NO2, with an adsorption energy of −1.74 eV and charge transfer of −0.37 e. Compared to the previously reported SnSe, SnP3, and PdSe2, the N–Te doped structure exhibits significant advantages. These results suggest that the N–Te doped structure has the potential to become a reliable sensing material for NO2, with significant application potential in noninvasive and rapid detection of obstructive pneumonia.

Synthesis and Optical Properties of CdSeTe/CdZnS/ZnS Core/Shell Nanorods.

Semiconductor nanorods (NRs) have great potential in optoelectronic devices for their unique linearly polarized luminescence which can break the external quantum efficiency limit of light-emitting diodes (LEDs) based on spherical quantum dots. Significant progress has been made for developing red, green, and blue light-emitting NRs. However, the synthesis of NRs emitting in the deep red region, which can be used for accurate red LED displays and promoting plant growth, is currently less explored. Here, we report the synthesis of deep red CdSeTe/CdZnS/ZnS dot-in-rod core/shell NRs via a seeded growth method, where the doping of Te in the CdSe core can extend the NR emission to the deep red region. The rod-shaped CdZnS shell is grown over CdSeTe seeds. By growing a ZnS passivation shell, the CdSeTe/CdZnS/ZnS NRs exhibit a photoluminescence emission peak at 670 nm, a full width at a half maximum of 61 nm and a photoluminescence quantum yield of 45%. The development of deep red NRs can greatly extend the applications of anisotropic nanocrystals.

P‐147: Highly Efficient Pure Blue ZnSeTe Based Quantum Dot Light Emitting Diodes with Top‐emitting Structure

The application of non‐Cd quantum dots in future display technologies is promising due to their environmental friendliness. However, their low efficiency and broad emission linewidth limit their practical usage. Here, we report the fabrication of ZnSeTe quantum dots based blue light emitting diode (QLED) with different amounts of Te doping and top‐emitting structure. By regulating the thickness of the electron transport layer, we achieve electrical and optical balance control in QLED. Ultimately, we obtain a blue QLED with a emission wavelength of 461 nm, a current efficiency of 5.8 cd/A and a pure blue chromaticity coordinates of (0.13, 0.08).

Structural and superconducting properties in the Te-doped spinel CuRh2Se4

In this paper, we discuss the impact of tellurium (Te) doping on the spinel superconductor CuRh2Se4. We conducted a comprehensive evaluation of the structural and superconducting properties of the system using various techniques, including X-ray diffraction (XRD), resistivity, magnetization, and specific heat measurements. Based on our XRD analysis, we found that the spinel superconductor CuRh2Se4-xTex (0 ≤ x ≤ 0.28) crystallizes in the space group Fd3̅m (227), while the layered compound CuRh2Se4-xTex (2.8 ≤ x ≤ 4.0) crystallizes in the space group P3̅m1 (164). The upper critical magnetic field can be increased from 0.95(2) T for CuRh2Se4 to 3.44(1) T for CuRh2Se3.72Te0.28 by doping with elemental Te. However, the layered compound CuRh2Se4-xTex (2.8 ≤ x ≤ 4.0) did not exhibit superconducting properties. Besides, the specific heat measurements of CuRh2Se4-xTex (x = 0, 0.1, 0.28) indicate that the Te element doping affects the electronic structure and interactions of the material and breaks the stability of the superconducting pairing, which leads to a decrease in the Tc. Finally, we show the electronic phase diagram of Tc with Te doping to summarise our findings.

S-filled and Te-doped CoSb3 materials prepared by HPHT method with ultra-low thermal conductivity

In this paper, a series of S[Formula: see text]Co4Sb[Formula: see text]Te[Formula: see text] samples were prepared by high pressure and high temperature (HPHT) method under different pressures. The synthesis time was shortened from several days to 0.5 h. Te doping and S filling simultaneously optimized the thermal and electrical transport properties of the CoSb3 materials. We found a porous architecture containing rich grain boundaries, different grain sizes, nano- to micrometer-sized pores, and a large number of dislocations, which can scatter a wide spectrum of phonons. Seebeck coefficient [Formula: see text], electrical resistivity [Formula: see text], and thermal conductivity [Formula: see text] were measured between 295 K and 773 K. The minimum thermal conductivity of S[Formula: see text]Co4Sb[Formula: see text]Te[Formula: see text] synthesized at 3.0 GPa was 1.23 Wm[Formula: see text] K[Formula: see text], and its maximum zT value reached 1.07 at 773 K, especially the lattice thermal conductivity was as low as 0.49 Wm[Formula: see text] K[Formula: see text].

Inhibiting phase conversion and improving cyclic stability of Ni-rich layered oxide by high-valence element concentration gradient doping

Nickel (Ni)-rich layered oxide cathodes are believed to be one of the crucial materials for the development of high-energy density power batteries. However, accompanied by the Ni content of layered cathodes increases, it encounters some awkward issues such as sensitivity to moisture, side reactions, and gas production. Herein, by using a high-valency elements Tellurium (Te) doping strategy, we successfully design and fabricate the layered oxide cathode material Li[(Ni0.90Co0.10)0.99Te0.01]O2 (1.0 Te-NC90) with a high capacity of 231.36 mAh g−1 at 0.1C, which has high cycling stability of 95.01 % after 100 cycles at 0.5C, good thermal stability of 205 °C and high Li+ diffusion rate of 8.12 × 10−10 cm2 s−1. It has been found that the (003) interplanar spacing of 1.0 Te-NC90 cathode will increase from 0.472 nm to 0.491 nm due to the concentration gradient Te-doping strategy, which can promote Li+ diffusion. Besides, it can refine the grain structure and transform the primary particles from bulk-grained to rod-grained morphology, and these elongated and closely packed particles radiate from the center to the surface with a spoke-like arrangement, which effectively dissipates lattice strain generated during deeply charging states and suppresses the abrupt lattice transformation associated with the H2 → H3 phase, thereby avoiding the development of microcracks during cycling. In the meantime, robust Te-O bonds can keep the material lattice stable to prevent oxygen loss and TM ion movement. Therefore, this study reveals the significant role of trace Te-doping in enhancing crystal structure and electrochemical stability through microstructural engineering for the control of primary particle morphology.

Identifying the promising n-type SmMg2Sb2-based Zintl phase thermoelectric material

The discovery of promising thermoelectric materials has often been challenged by the doping bottleneck. As an example, the n-type Zintl phases are promising thermoelectric materials but are challenging to synthesize due to intractable cation vacancies. In this work, by incorporating excess Mg and Te doping, n-type SmMg2Sb2 with high thermoelectric performance has been realized. Density functional theory calculations indicate that the conduction bands extrema of SmMg2Sb2 are located at the L and M points in the Brillouin zone, and the valley degeneracy is 6. The high valley degeneracy of conduction bands results in a much larger n-type density-of-state effective mass (∼2.6m0) compared to that of many p-type Zintl phases. With the optimization of the electron concentration, an n-type power factor ∼11.0 μW cm−1 K−2 is obtained in SmMg2+δSb1.97Te0.03 (δ = 0.3). Together with the effectively reduced lattice thermal conductivity by further alloying of SmMg2Bi2, a peak zT ∼1.0 at 873 K is achieved in n-type SmMg2+δSb1.72Bi0.25Te0.03 (δ = 0.3), demonstrating the great potential of n-type Zintl phase thermoelectric materials.

Te-doped Fe3O4 flower enabling low overpotential cycling of Li−CO2 batteries at high current density

Li−CO2 batteries (LCBs) suffer from high overpotentials caused by sluggish CO2 reaction kinetics. This work designs a Te-doped Fe3O4 (Te-Fe3O4) flower-like microsphere catalyst to lower the overpotential and improve the reversibility of LCBs. Experimental results reveal that Te doping modifies the electronic structure of Fe3O4 and reduces the overpotential. The stable Te−O bond between Te and C2O42− could effectively inhibit the disproportionation reaction of the latter, enabling the Te-Fe3O4 cathodes to exhibit a remarkable capacity (9485 mAh g−1) and a long cycling life (155 cycles) with an overpotential of 1.21 V and an energy efficiency of about 80% at a high current density (2000 mA g−1). Through the interaction between Te and Li2C2O4 to inhibit the disproportionation reaction, this work successfully achieves long-term cycling of LCBs with low overpotential at high current density.

Photoelectric properties of monolayer 1T-CrS2 modified by doping non-metal atoms under strains

Based on the first principle, the change of photoelectric properties of non-metal-doped CrS2 under biaxial tension was studied. The formation energy indicates that the doping system is stable. Studies have shown that the partial doping system achieves a semiconductor metal phase transition. The strain opens the bandgap of the F-doped system, and the system changes from metal to n-type semiconductor. The Te-doped system realizes the transition from indirect bandgap to direct bandgap under the adjustment of 2% strain. The O and Se doping systems realize the reverse regulation of the bandgap under strain, and the conductivity gradually increases with the increase of strain. The absorption efficiency of Te doping under a certain strain is significantly enhanced, the static dielectric properties of the F doping system are increased by more than two times, the absorption spectrum response range is increased, and the absorption capacity of the system is enhanced. This lays a foundation for applying monolayer CrS2 in microelectronics and optoelectronics.

Flexible power generators by Ag2Se thin films with record-high thermoelectric performance

Exploring new near-room-temperature thermoelectric materials is significant for replacing current high-cost Bi2Te3. This study highlights the potential of Ag2Se for wearable thermoelectric electronics, addressing the trade-off between performance and flexibility. A record-high ZT of 1.27 at 363 K is achieved in Ag2Se-based thin films with 3.2 at.% Te doping on Se sites, realized by a new concept of doping-induced orientation engineering. We reveal that Te-doping enhances film uniformity and (00l)-orientation and in turn carrier mobility by reducing the (00l) formation energy, confirmed by solid computational and experimental evidence. The doping simultaneously widens the bandgap, resulting in improved Seebeck coefficients and high power factors, and introduces TeSe point defects to effectively reduce the lattice thermal conductivity. A protective organic-polymer-based composite layer enhances film flexibility, and a rationally designed flexible thermoelectric device achieves an output power density of 1.5 mW cm−2 for wearable power generation under a 20 K temperature difference.

Stabilizing the dopability of chalcogens in BaZrO3 through TiZr co-doping and its impact on the opto-electronic and photocatalytic properties: A meta-GGA level DFT study

Band structure engineering of large band gap perovskite oxides allows enhancing their optical absorption capabilities in the visible region of the electromagnetic spectrum which enables their use in green energy technologies harnessing solar radiations. Since introducing isovalent cation and anion co-dopants in ABO3 perovskite can facilitate tuning of their band gaps, in the present work we examine the synthesis feasibility of Ti and X (where X = S, Se and Te) dopants at zirconium and oxygen-sites, respectively, of BaZrO3 using first-principles density functional theory calculations. For an accurate determination of thermodynamic, structural and energetic properties of the pristine, mono-doped and TiZr + XO co-doped BaZrO3, we have employed semi-local SCAN meta-GGA functional. Moreover, the TB-mBJ meta-GGA potential functional was used to circumvent the band gap underestimation of the electronic and optical properties made by SCAN. Our results indicate that introducing TiZr as a co-dopant in XO-doped BaZrO3 not only improves the thermodynamics of introducing an chalcogen atom at oxygen-site under optimal chemical environment, it also allows tuning the band gap of cubic BaZrO3 for absorption of radiation in the visible spectrum. We also perform a side-by-side comparison of the photocatalytic water molecule dissociation efficiency of pristine, XO-doped, TiZr-doped and TiZr +XO co-doped BaZrO3 to examine their potential application in hydrogen evolution process. Based on our computed optical properties and band-edge potentials, we propose TiZr+TeO co-doped BaZrO3 as the best candidate for photocatalytic water molecule dissociation under solar irradiation.

Improved temporal performance and optical quantum efficiency of avalanche amorphous selenium for low dose medical imaging.

Active matrix flat panel imagers (AMFPIs) with thin-film transistor arrays experience image quality degradation by electronic noise in low-dose radiography and fluoroscopy. One potential solution is to overcome electronic noise using avalanche gain in an amorphous selenium (a-Se) (HARP) photoconductor in indirect AMFPI. In this work, we aim to improve temporal performance of HARP using a novel composite hole blocking layer (HBL) structure and increase optical quantum efficiency (OQE) to CsI:Tl scintillators by tellurium (Te) doping. Two different HARP structures were fabricated: Composite HBL samples and Te-doped samples. Dark current and optical sensitivity measurements were performed on the composite HBL samples to evaluate avalanche gain and temporal performance. The OQE and temporal performance of the Te-doped samples were characterized by optical sensitivity measurements. A charge transport model was used to investigate the hole mobility and lifetime of the Te-doped samples in combination with time-of-flight measurements. The composite HBL has excellent temporal performance, with ghosting below 3% at 10mR equivalent exposure. Furthermore, the composite HBL samples have dark current and achieved an avalanche gain of 16. Te-doped samples increased OQE from 0.018 to 0.43 for 532nm light. The addition of Te resulted in 2.1% first-frame lag, attributed to hole trapping within the layer. The composite HBL and Te-doping can be utilized to improve upon the limitations of previously developed indirect HARP imagers, showing excellent temporal performance and increased OQE, respectively.

Physical mechanism of Zn and Te doping process of In0.145Ga0.855As0.108Sb0.892 quaternary alloys

We investigated p- and n-type In0.145Ga0.855As0.108Sb0.892 semiconductor alloys grown on GaSb (100) substrates by the liquid phase epitaxy (LPE) technique with different Zinc (Zn) and Tellerium (Te) mole fractions, respectively. Photoluminescence (PL) spectra showed a band gap narrowing effect for p-type doping and a band gap widening for n-type doping, attributed to the type of carrier concentration. The carrier concentration was determined from the band-to-band transition of the PL spectra in the range of 1.20 × 1016 to 2.80 × 1017 and 7.75 × 1016 to 1.02 × 1018 cm−3 for electrons and holes, respectively. Raman spectroscopy measurements showed the phonon modes LO (GaSb–InAs)-like and TO (GaSb–InAs)-like for both types of doping. The frequency dispersion of these modes is closely tied to the presence of native defects, such as vacancies of Ga(VGa), antisites of Ga in Sb (GaSb), and VGa–GaSb complexes. Incorporation of Zn- and Te-doping into the lattice led to a notable reduction in the full width at half maximum (FWHM) of the LO (GaSb–InAs)-like mode, as these dopants effectively diminished native defects. A detailed model is presented for the incorporation of dopants and their effect on the crystal quality. Phonon–plasmon coupling was observed through the L− mode, which overlaps with the TO (GaSb–InAs)-like mode for the carrier concentrations observed in the doped alloys. A theoretical estimation of the frequencies of the coupled modes L+ and L− was implemented as a function of the carrier concentration, based on the effective dielectric function of the quaternary compound. The L+ coupled mode shifts from the phononic to the plasmonic domain for theoretical electron concentrations ranging from ∼1017 to 5 × 1018 cm−3, while in p-type conductivity, the L+ mode remains in the phononic domain for the same range of hole concentrations. The increase in the frequency of the L+ mode with carrier concentration, such as the plasma frequency, provides another reliable method for determining carrier concentrations. This study reveals the physical mechanism of Zn an Te incorporation into InGaAsSb, which is required for the integration of p- and n-type doped quaternary alloys into optoelectronic applications. In addition, it provides a comprehensive understanding of the complex interaction mechanisms, including LO phonon–plasmon coupling modes and optical transitions, opening up new lines for exploring the electrical and structural properties of these materials.

The electronic structure of the active center of Co3Se4 electrocatalyst was adjusted by Te doping for efficient oxygen evolution

In order to enhance the energy efficiency of water electrolysis, it is imperative to devise electrocatalysts for oxygen evolution reaction that are both non-precious metal-based and highly efficient. Efficient catalyst design is generally based on electronic structural engineering. Considering the electronegativity disparity between selenium (Se) and tellurium (Te), the tunable bandgaps, and the conductive metallic nature of Te. We designed a material wherein Te atoms are uniformly doped onto the surface of Cobalt tetra selenide (Co3Se4) nanorods, leading to the synthesis of a defect-rich material. Experimental results demonstrate that Te doping in Co3Se4 increases active sites and optimizes the electronic structure of Co cations, enhancing the design of multi-defect structures. This promotes the generation of the Co(oxy) hydroxide (CoOOH) active phase, enhancing catalytic activity by maximizing the binding strength between Co sites and oxygenated intermediates. Te-Co3Se4 nanorods exhibit good catalytic activity for oxygen evolution reactions, with an overpotential of 269 mV at a driving current density of 50 mA cm−2 and excellent stability in alkaline media (over 100 h). This discovery indicates the feasibility of strategically combining various imperfect structures, thereby unlocking the latent potential of diverse catalysts in electrocatalytic reactions.

Te-doped-WSe2/W as a stable monolith catalyst for ampere-level current density hydrogen evolution reaction.

The development of efficient electrocatalysts for the hydrogen evolution reaction (HER) holds immense importance in the context of large-scale hydrogen production from water. Nevertheless, the practical application of such catalysts still relies on precious platinum-based materials. There is a pressing need to design high-performing, non-precious metal electrocatalysts capable of generating hydrogen at substantial current levels. We report here a stable monolith catalyst of Te-doped-WSe2 directly supported by a highly conductive W mesh. This catalyst demonstrates outstanding electrocatalytic performance and stability in acidic electrolytes, especially under high current conditions, surpassing the capabilities of commercial 5% Pt/C catalysts. Specifically, at current densities of 10 and 1200 mA cm-2, it exhibits a minimal overpotential of 79 and 232 mV, along with a small Tafel slope of 55 mV dec-1, respectively. The remarkable catalytic activity of Te-WSe2 can be attributed to the exceptional electron transfer facilitated by the stable monolithic structure, as well as the abundant and efficient active sites in the material. In addition, density functional theory calculations further indicate that Te doping adjusts H atom adsorption on various positions of WSe2, making it closer to thermal neutrality compared to the original material. This study presents an innovative approach to develop cost-effective HER electrocatalysts that perform optimally under high current density conditions.