Hole Concentration Research Articles

Alloying-Induced Structural Transition in the Promising Thermoelectric Compound CaAgSb.

AMX Zintl compounds, crystallizing in several closely related layered structures, have recently garnered attention due to their exciting thermoelectric properties. In this study, we show that orthorhombic CaAgSb can be alloyed with hexagonal CaAgBi to achieve a solid solution with a structural transformation at x ∼ 0.8. This transition can be seen as a switch from three-dimensional (3D) to two-dimensional (2D) covalent bonding in which the interlayer M-X bond distances expand while the in-plane M-X distances contract. Measurements of the elastic moduli reveal that CaAgSb1-xBix becomes softer with increasing Bi content, with the exception of a steplike 10% stiffening observed at the 3D-to-2D phase transition. Thermoelectric transport measurements reveal promising Hall mobility and a peak zT of 0.47 at 620 K for intrinsic CaAgSb, which is higher than those in previous reports for unmodified CaAgSb. However, alloying with Bi was found to increase the hole concentration beyond the optimal value, effectively lowering the zT. Interestingly, analysis of the thermal conductivity and electrical conductivity suggests that the Bi-rich alloys are low Lorenz-number (L) materials, with estimated values of L well below the nondegenerate limit of L = 1.5 × 10-8 W Ω K-2, in spite of the metallic-like transport properties. A low Lorenz number decouples lattice and electronic thermal conductivities, providing greater flexibility for enhancing thermoelectric properties.

The Substitution of Rare-Earth Gd in BaScCuTe3 Realizing the Band Degeneracy and the Point-Defect Scattering toward Enhanced Thermoelectric Performance.

Zintl compounds have continuously received significant attention, primarily due to their structural characteristics that align with the properties of the electron crystal and phonon glass. In this study, the crystal structure and thermoelectric properties of the quaternary Zintl chalcogenide BaScCuTe3 are investigated. The band structure calculations for BaScCuTe3 reveal a slight energy split of 0.08 eV between the second valence band and the valence band maximum, suggesting the presence of multiband-transport behaviors. Substitution of rare earth Gd for Sc is conducted, which significantly increases the hole concentration from 4.1 × 1019 cm-3 to 8.2 × 1019 cm-3 at room temperature. Meanwhile, the Seebeck coefficient increases because of the participation of the second valence band. A maximum power factor of 6.56 μW/cm·K2 at 773 K is obtained, which is 72% higher than that of the pristine sample. Moreover, the lattice thermal conductivity decreases from 0.57 W/m·K for BaScCuTe3 to 0.48 W/m·K for BaSc0.97Gd0.03CuTe3 at 773 K, owing to the introduction of point-defect scattering. As a result, there is a noteworthy improvement in the thermoelectric figure of merit zT, increasing from 0.44 for the undoped sample to 0.85 for BaSc0.98Gd0.02CuTe3. Considering these findings, BaScCuTe3 exhibits great potential and holds promise for further investigation in the field of thermoelectric materials.

Redox Chemistries for Vacancy Modulation in Plasmonic Copper Phosphide Nanocrystals.

Copper phosphide (Cu3-xP) nanocrystals are promising materials for nanoplasmonics due to their substoichiometric composition, enabling the generation and stabilization of excess delocalized holes and leading to localized surface plasmon resonance (LSPR) absorption in the near-IR. We present three Cu-coupled redox chemistries that allow postsynthetic modulation of the delocalized hole concentrations and corresponding LSPR absorption in colloidal Cu3-xP nanocrystals. Changes in the structural, optical, and compositional properties are evaluated by powder X-ray diffraction, electronic absorption spectroscopy, 31P magic-angle spinning solid-state nuclear magnetic resonance spectroscopy, and elemental analysis. The redox chemistries presented herein can be used to access nanocrystals with LSPR energies of 660-890 meV, a larger range than has been possible through synthetic tuning alone. In addition to utilizing previously reported redox chemistries used for copper chalcogenide nanocrystals, we show that the largest structural and LSPR modulation is achieved using a divalent metal halide and trioctylphosphine. Specifically, nanocrystals treated with zinc iodide and trioctylphosphine have the smallest unit-cell volume (295.2 Å3) reported for P63cm Cu3-xP, indicating more Cu vacancies than have been previously observed. Overall, these redox chemistries present valuable insight into controlling the optical and structural properties of Cu3-xP.

The Remarkable Role of Indium in Synergistically Optimizing Carrier Concentration and Phase Distribution of AgCuTe-Based Materials.

Carrier regulation has proven to be an effective approach for optimizing the thermoelectric performance of materials. One common method to adjust the carrier concentration is through element doping. In the case of AgCuTe-based materials, it tends to form with cation vacancies, resulting in a high hole concentration and complex phase composition at low temperatures, which also hinders material stability. However, this also offers additional opportunities to manipulate the carrier concentration. In this study, the improved performance of AgCuTe through indium doping is reported, which leads to a reduction in hole concentration. In combination with a significant increase in the effective mass of the carriers, the enhanced Seebeck coefficient is also realized. Particularly, a notable improvement in power factor is observed in the hexagonal phase near room temperature. Furthermore, a lower electron thermal conductivity is achieved, contributing to an average figure of merit value of ≈1.21 (between 523 and 723K). Additionally, the presence of indium inhibits the formation of the second phase and ensures a homogeneous phase distribution, which reduces the instability arising from phase transition. This work significantly enhances the potential of AgCuTe-based materials for low to medium-temperature applications.

Lasing Threshold Reduction of AlGaN‐Based Ultraviolet‐C Laser Diodes Using Strain Relaxed Lower Cladding Layer

The dependence of the performance of ultraviolet‐C (UV‐C) laser diodes on the strain relaxation of lower cladding layer (LCL) is numerically investigated. As the strain relaxation increases from 0% to 100%, the threshold current density decreases from 25 to 12.7 kA cm−2, and the slope efficiency increases from 0.039 to 0.087 W A−1, thanks to an increase in internal quantum efficiency (IQE). The improvement of IQE is mainly due to the enhanced hole injection resulting from the increased hole concentration in the distributed polarization doping layers and the reduced hole blocking barrier height of the upper waveguide layer with increasing the strain relaxation. Additionally, the effective screening of the polarization field within the quantum well ameliorates the quantum‐confined Stark effect, further improving the IQE. Our study reveals that strain relaxed LCL is imperative to achieve low‐threshold UV‐C laser diodes.

Communication—Controlling Etching of Germanium through Surface Charge Manipulation

Potassium hydroxide (KOH) aqueous solutions can effectively etch germanium. Etch rates were determined in an electrolytic etch cell. Electrically isolated Ge wafers were subject to an etch rate of 1.45 ± 0.07 nm min−1, increasing to 12.6 ± 0.2 nm min−1 when grounded, 97 ± 2 nm min−1 when biased at −0.9 V, and 138 ± 2 nm min−1 with periodic biasing. Results suggest that the previously reported limited etching in KOH is associated with the recombination of holes with electrons injected from the surface reaction. The results of this study demonstrate that changing the hole concentration through biasing is an effective tool to control electrolytic etch rates, enabling future selective etching processes for germanium.

Study of ultraviolet light emitting diodes with InGaN quantum dots and lattice matched superlattice electron blocking layers.

Ultraviolet light emitting diodes (UV-LEDs) face the challenges including insufficient hole injection and severe electron leakage. Quantum dots (QDs) have been proven to provide three-dimensionally localized states for carriers, thereby enhancing carrier confinement. Therefore, UV-LEDs employing InGaN QDs are designed and studied in this paper. The APSYs software is used to simulate UV-LEDs. Simulation results indicate that the QDs effectively improve the electron and hole concentration in the active region. However, UV-LEDs with QDs experience efficiency droop due to serious electron leakage. What's more, the lattice mismatch between last quantum barrier (LQB) and electron blocking layer (EBL) leads to the polarization field, which induces the downward band bending at the LQB/EBL interface and reduces effective barrier height of EBL for electrons. The AlInGaN/AlInGaN lattice matched superlattice (LMSL) EBL is designed to suppress electron leakage while mitigating lattice mismatch between LQB and EBL. The results indicate that the utilization of QDs and LMSL EBL contributes to increasing the electron and hole concentration in the active region, reducing electron leakage, enhancing radiative recombination rate, and reducing turn-on voltage. The efficiency droop caused by electron leakage is mitigated. When the injection current is 120 mA, the external quantum efficiency is increased to 9.3% and the output power is increased to 38.3 mW. This paper provides a valuable reference for addressing the challenges of insufficient hole injection and severe electron leakage.

Progress and Outlook of 10% Efficient AlGaN‐Based (290–310 nm) Band UVB LEDs

Eco‐friendly and low‐cost aluminum gallium nitride (AlGaN) for the epitaxial growth of ultraviolet‐B (UVB) light‐emitting diodes (LEDs) on c‐Sapphire has the possibility of high external‐quantum efficiency (EQE). In this review paper a special growth techniques for 50% relaxed and 4 μm thick AlGaN buffer layer underneath the multi‐quantum wells (MQWs) are challenged to achieve a maximum internal‐quantum efficiency of 50–57% in 310–290 nm band UVB LEDs. The influence of a thin “Valley” layer in p‐type multi‐quantum barrier electron‐blocking layer on 2D hole generation and injection via intraband tunneling was attempted. Finally, the influence of soft polarized Mg‐doped p‐type Al‐graded AlGaN hole injection layer assisted by excimer laser annealing for better hole injection toward the MQWs was investigated and quite high hole concentration of 2 × 1016 cm−3 and resistivity of 24 Ω‐cm at room temperature was achieved. Consequently, the EQE of transparent 310 and 304 nm UVB LEDs, respectively, reached to a confirmed world record values of ≈5% and ≈10% with light powers of 29 and 40 mW on wafer. This EQE value can surpass 21% if flip‐chip, nanoPSS, photonic crystal, and lens with highly reflective p‐electrodes are incorporated in LED.

Crystal phase control of copper oxide thin films by process pressure during high power impulse magnetron sputtering

High-performance P-type cuprous oxide (Cu2O) film was prepared at room temperature by high power impulse magnetron sputtering. Optical emission spectra revealed that the ratio of Cu radicals/ions in the plasma significantly decreased with increasing process pressure due to the reduction of sputtering yield as the Cu target surface was oxidized by the increased oxygen radicals/ions. In addition, the increase of self-sputtering yield for Cu cations with increasing process pressure reduced the arrival ratio of Cu species at the substrate surface. As a result, the film crystal phase transformed from Cu2O to Cu4O3 and CuO with increasing process pressure. X-ray photoelectron spectra and Hall effect test results revealed that the oxygen vacancy defects in the films were passivated by the increased oxygen species at higher process pressure, leading to the inhibition of electron background and the emergence of net hole concentration. A mobility of 37.3 cm2/V·s was achieved, which is very high for room-temperature-deposited Cu2O film and comparable to high-temperature (300–600 °C) deposited/post-annealed Cu2O film. Finally, Cu2O thin film transistors (TFTs) exhibited reasonable switching characteristics with a low off-current of 0.3 nA without post-annealing treatment, showing an advantage in low-temperature preparation.

Low Thermal Conductivity and High Thermoelectric Performance of Nb-Doped Quarternary Mixed Crystal Nb0.05W0.95-xMox(Se1-xSx)2.

Transition-metal dichalcogenide WSe2 has attracted increasing interest due to its large thermopower (S), low-cost, and environment-friendly constituents. However, its thermoelectric figure of merit, ZT, of WSe2 is limited due to its large lattice thermal conductivity (κL) and low electrical conductivity. In view of WSe2 and MoS2 having the same crystal structure, here we designed and prepared Nb-doped quarternary mixed crystal (MC) Nb0.05W0.95-xMox(Se1-xSx)2 (0 ≤ x ≤ 0.095). The results indicate that the κL of the MC can reach as low as 0.12 W m K-1 at 850 K, being 93% smaller than that of WSe2. Our analysis reveals that its low κL originates chiefly from intense scattering of both high-frequency phonons from point defects (mainly alloying elements) and mid/low-frequency phonons from MoS2 inclusions residual within MC. In addition, the alloying of WSe2 with MoS2 causes a 5-fold increase in cation vacancies (VW‴'), leading to a large increase in hole concentration and electrical conductivity, which gives rise to a ∼7.5 times increase in power factor (reaching 4.2 μ W cm-1 K-2 at 850 K). As a result, a record high ZTmax = 0.63 is achieved at 850 K for the MC sample with x = 0.076, which is 20 times larger than that of WSe2, demonstrating that MC Nb0.05W0.95-xMox(Se1-xSx)2 is a promising thermoelectric material.

An improvement of thermoelectric properties for Mg3Bi2/Mg2Sn nanocomposite films by the phase interface

Mg3Bi2/Mg2Sn nanocomposite films were prepared on single Si substrate using high pure metal Mg, Mg3Bi2 and Mg2Sn target by alternately sputtering. The phase composition of the deposited Mg3Bi2/Mg2Sn films was analyzed by X-ray diffraction patterns. The surface and cross-sectional morphology of the deposited Mg3Bi2/Mg2Sn films was observed by scanning electron microscope. The content and distribution of elements in the deposited Mg3Bi2/Mg2Sn films were measured by an energy dispersive spectroscopy. The Seebeck coefficient and electrical conductivity of the deposited films was measured by Seebeck coefficient/resistance analysis system. The carrier concentration and carrier mobility of the sample was measured and calculated by Hall experiments. Results showed that the Mg3Bi2/Mg2Sn films were composed of Mg3Bi2, Mg2Sn and a few of metal Mg phase. The carrier (hole) concentration and Seebeck coefficient gradually increased, but the mobility and electrical conductivity decreased with increasing the Mg2Sn phase content in deposited films. As a result of the competition between the electrical conductivity and the Seebeck coefficient, the power factor first increased, reached a maximum value of 1.20 mW·m−1·K−2 at 155 °C, and then decreased. The deposited Mg3Bi2/Mg2Sn nanocomposite films with 6.5 at.% Sn possessed the highest power factor in measured temperature range. The power factor of deposited Mg3Bi2 films can be effectively improved by adding moderate Mg2Sn phase and forming Mg3Bi2/Mg2Sn nanocomposite films.

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.

Performance improvement of 263 nm AlGaN DUV LDs with different doping concentration and composition graded EBL Techniques

As part of this study, we present a study on the act of electrically driven Laser Diode (LD) using trinary Aluminum Gallium Nitride (AlGaN) with optimized doping concentrations. To increase the LD’s output power and capabilities, we focused on utilizing different doping concentrations in the electron-blocking layer (EBL). We conducted the calculations with PICS 3D software; we obtained simulation results indicating that the designed LD structure successfully emitted an ultraviolet (UV) laser class-c at a wavelength of 263.7 nm. By implementing this approach, we anticipate achieving higher optical output power by 6%, enhancing the concentration of electron and hole, and reducing the electron current density (356.1 to 342.8) and threshold voltage (4.516 to 4.5 V), and hole current density increases in AlGaN-based ultraviolet LDs. These promising outcomes can be attributed to the effective conduction band barrier height achieved by the optimized electron-blocking layer (EBL).

Cu-doped lithium oxide films with high mobility and bandgap prepared by pulsed direct-current sputtering

In this study, Cu-doped lithium carbonate (Cu:Li2O2) films are prepared by pulsed direct-current (DC) magnetron sputter using a lithium carbonate and copper oxide mixed target. The oxygen flow rate is varied during the sputtering process to systematically investigate its effect on structural, electrical and optical properties of the films. The experimental results show that all the Cu:Li2O2 films are mainly amorphous as confirmed by X-ray diffraction. Cu incorporation is able to reduce the aggregated clusters of the lithium oxides. At the oxygen flow rate of 20 sccm the film with a Cu content of ∼0.7 at.% has a low p-type resistivity of 0.82 Ω-cm, hole concentration of 1.1 × 1017 cm−3 and the highest mobility of 73 cm2V−1s−1, which is at least twice higher than those of other p-type metal oxides prepared at similarly low temperatures. The film also has a high optical band gap of 2.87 eV. Moreover, the Cu:Li2O2/ZnO heterojunction demonstrating a clear diode rectification supports the p-type nature of Cu:Li2O2 films. The pulsed DC Cu:Li2O2 films with these remarkable optoelectronic properties demonstrate great potential to be adopted as transparent oxide semiconductors in high-performance optoelectronics.

Unidirectional Subsystem Symmetry in a Hole-Doped Honeycomb-Lattice Ising Magnet.

We study a model of a hole-doped collinear Ising antiferromagnet on the honeycomb lattice as a route toward realization of subsystem symmetry. We find nearly exact conservation of dipole symmetry verified both numerically with exact diagonalization on finite clusters and analytically with perturbation theory. The emergent symmetry forbids the motion of single holes-or fractons-but allows hole pairs-or dipoles-to move freely along a one-dimensional line, the antiferromagnetic direction, of the system; in the transverse direction both fractons and dipoles are completely localized. This presents a realization of a "unidirectional" subsystem symmetry. By studying interactions between dipoles, we argue that the subsystem symmetry is likely to continue to persist up to finite (but probably small) hole concentrations.

Mechanism of p-Type Heteroatom Doping of Lithium Stannate for the Photodegradation of 2,4-Dichlorophenol: Enhanced Hole Oxidative Capability and Concentrations.

A systematic evaluation of enhancing photocatalysis via aliovalent cation doping is conducted. Cation In3+, being p-type-doped, was chosen to substitute the Sn site (Sn4+) in Li2SnO3, and the photodegradation of 2,4-dichlorophenol was applied as a model reaction. Specifically, Li2Sn0.90In0.10O3 exhibited superior catalytic performance; the photodegradation efficiency reached about 100% within only 12 min. This efficiency is far greater than that of pure Li2SnO3 under identical conditions. Density functional theory calculations reveal that introducing In3+ increased the electron mobility, yet decreased the hole mobility, leading to photogenerated carrier separation. However, photoluminescence and time-resolved photoluminescence suggest that In3+ induced nonradiative coupling in the matrix, reducing the photogenerated carrier separation ratio compared with that of Li2SnO3. The optical band gap of Li2Sn0.90In0.10O3 was almost unchanged compared with that of Li2SnO3 via ultraviolet-visible absorption. The increased photocatalytic efficiency was ascribed to the lower valence band position and enhanced hole concentrations by valence band X-ray photoelectron spectroscopy and electrochemical measurements. Finally, a 2,4-dichlorophenol degradation pathway, an intermediate toxicity assessment, and a photocatalytic mechanism were proposed. This work offers insights into designing and optimizing semiconductor photocatalysts with high performance.

Direct Characterization of Buried Interfaces in 2D/3D Heterostructures Enabled by GeO2 Release Layer.

Inconsistent interface control in devices based on two-dimensional materials (2DMs) has limited technological maturation. Astounding variability of 2D/three-dimensional (2D/3D) interface properties has been reported, which has been exacerbated by the lack of direct investigations of buried interfaces commonly found in devices. Herein, we demonstrate a new process that enables the assembly and isolation of device-relevant heterostructures for buried interface characterization. This is achieved by implementing a water-soluble substrate (GeO2), which enables deposition of many materials onto the 2DM and subsequent heterostructure release by dissolving the GeO2 substrate. Here, we utilize this novel approach to compare how the chemistry, doping, and strain in monolayer MoS2 heterostructures fabricated by direct deposition vary from those fabricated by transfer techniques to show how interface properties differ with the heterostructure fabrication method. Direct deposition of thick Ni and Ti films is found to react with the monolayer MoS2. These interface reactions convert 50% of MoS2 into intermetallic species, which greatly exceeds the 10% conversion reported previously and 0% observed in transfer-fabricated heterostructures. We also measure notable differences in MoS2 carrier concentration depending on the heterostructure fabrication method. Direct deposition of thick Au, Ni, and Al2O3 films onto MoS2 increases the hole concentration by >1012 cm-2 compared to heterostructures fabricated by transferring MoS2 onto these materials. Thus, we demonstrate a universal method to fabricate 2D/3D heterostructures and expose buried interfaces for direct characterization.

The impact of thickness-related grain boundary migration on hole concentration and mobility of p-type transparent conducting CuI films.

CuI films present promising optoelectronic properties for transparent conductors. However, the high hole concentration in CuI films hinders the controllable modulation of hole mobility, limiting their application in low-dimensional thin-film transistors. In this study, CuI films were prepared through a Cu film iodination method at room temperature, and a systematic investigation was conducted on the modulation of hole concentration and mobility with varying film thickness. The films exhibited a zinc blende structure (γ-phase) with increasing grain size as the thickness increased. The transmittance and optical bandgap of the films decreased with increasing thickness. The correlation of vacancy concentration with changing film thickness was analyzed through photoluminescence spectroscopy, revealing the influence of grain boundary migration on vacancy formation. The reduction in film thickness diminishes the migration of CuI grain boundaries, consequently reducing the probability of Cu vacancy and I vacancy formation, resulting in diminished hole concentration and enhanced hole mobility and film conductivity. The film with a thickness of 20 nm demonstrated optimal performance, with a transmittance of 90%, hole concentration of 4.09 × 1017 cm-3, hole mobility of 506.50 cm2 V-1 s-1, and conductivity of 33.19 S cm-1. This work deepens the understanding of hole transport such as hole concentration and mobility modulation in CuI films, highlighting the importance of controlling grain boundary migration during the film growth process.

Unveiling the nature of room-temperature-fabricated p-type SnO thin films: the critical role of intermediate phases, lattice disorder, and oxygen interstitials

This study showcases the use of ion-beam-assisted deposition for fabricating p-type SnO thin films at room temperature, which reveals crucial links between Hall mobility and lattice disorder, and between hole concentration and the relative content of interstitial oxygen.

Optimization of preparation conditions and design of device configurations for Cu3AsS4 solar cells: a combined study of first-principles calculations and SCAPS-1D device simulations.

Former studies have investigated the band structure and optoelectronic properties of Cu3AsS4 and suggested that it is a promising photovoltaic (PV) absorber. However, its power conversion efficiency (PCE) from experiments is still unsatisfactory and detailed experimental optimization strategies are lacking. Here, combining first-principles calculations and SCAPS-1D device simulations, we have systematically studied the optoelectronic and defect properties of Cu3AsS4 to find the suitable growth conditions and have performed various device simulations by adjusting the constituent layers to optimize the device configuration of the Cu3AsS4 solar cell. Our results demonstrated that the defect and hole concentrations can be regulated to a reasonable range as the PV absorber in metal-rich and S-poor growth environments with a low growth temperature of 500 K. Owing to the large cliff-like conduction band offset between the traditional buffer layers CdS and Cu3AsS4, the open-circuit voltage loss is large and the corresponding PCE is low. The PCE can be improved by adopting the new buffer layers with low electron affinity. The corresponding n-type transparent electrode is further optimized. Finally, the solar cell with the configuration of FTO/WO3/Cu3AsS4/Mo is suggested and its PCE can reach an optimal value of 17.82%.