Mozes Research Articles

Molecular simulation study of MoSe2 nanochannel for seawater desalination

Reverse osmosis (RO) desalination has become an efficient approach to alleviate the freshwater scarcity, and various two-dimensional (2D) nanomaterials are widely exploited as RO membranes. Due to excellent chemical stability and high flow rate, molybdenum diselenide (MoSe2) has shown great potential in water treatment applications. However, the microscopic understanding of desalination mechanism is still lacking. In this study, by using in silico approach, the high-efficiency desalination performance of layer-stacked MoSe2 nanochannels was investigated. The simulation results reveal that the edge chemical properties and spacing of MoSe2 nanochannels have significant effects on the desalination. Increased spacing can increase the permeability of water but reduces ion rejection. In particular, the permeability through the Mo–Se channel with 8 Å spacing achieves a value of about 3.1 × 10−5 kg m m−2·h−1 bar−1 along with 100 % ion rejection rate, which is several orders of magnitude higher than that of traditional commercial membranes. This indicates that the MoSe2 nanochannels are superior for seawater desalination. In addition, the underlying mechanism of water passage through the MoSe2 channel are investigated by analyzing the potential of mean force, the 2D density of water molecules, and the hydrogen bonding inside the nanochannels during transportation. The results suggest that layer-stacked MoSe2 membrane can be used as a desired RO membrane for efficient seawater purification, which facilitates the design of future filtration membranes.

Tetra-μ3-selen-ido-1:2:3κ3Se;1:2:4κ3Se;1:3:4κ3Se;2:3:4κ3Se-tetrakis-[(η5-methyl-cyclo-penta-dien-yl)molybdenum(III)](6 Mo-Mo).

The title cluster compound, [Mo4(η5-C5H4Me)4(μ3-Se)4], was synthesized from the reaction of [Mo(η5-C5H4Me)(CO)3]2 with grey selenium in refluxing xylene solution under a nitro-gen atmosphere. The complete cluster is generated by a crystallographic twofold axis and contains an Mo4Se4 cubane-like core surrounded by four η5-methylcyclo-pentadienyl ligands. In the core, the four molybdenum atoms are connected to each other to form a tetra-hedron, with a selenium atom capping each face. The Mo-Mo bond lengths vary from 2.9857 (5) to 3.0083 (3) Å and the Mo-Se separations range from 2.4633 (4) to 2.4693 (5) Å.

Heterostructured NiSe2/MoSe2 electronic modulation for efficient electrocatalysis in urea assisted water splitting reaction

Efficient heterogeneous catalysts play a very important role in the value-updated green hydrogen production from urea-containing wastewater. Herein, NiSe2/MoSe2 heterostructured catalyst with optimized interfacial electron redistribution and urea adsorption energies via a strong built-in electric field was demonstrated effective for the urea-assisted water splitting reactions. Efficient catalytic performance was found on NiSe2/MoSe2 hybrid microsphere owing to the combined merits such as the unique structure features, the strong synergetic coupling effects, the increased active sites, and the high amount of intrinsic Ni3+ species. Excellent urea oxidation activity was found to drive 10 mA cm−2 at the potential of 1.33 V when loaded on the glassy carbon electrode, and a cell voltage of 1.47 V was required in the NiSe2/MoSe2||Pt/C urea-water electrolyzer to drive 10 mA cm−2, about 220 mV less than that of water electrolysis, indicating a less energy consumption technique during the electrolysis. The spectroscopic and theoretical analysis revealed the effective synergy of the Ni–Se bond and Mo–Se bond that would be promising for efficient catalyst system construction.

Higher energy density of MoSe2/polyaniline capsule nanospheres for enhanced performance supercapacitor

It is very important to develop novel nanocomposites as electrode materials for supercapacitors (SCs). MoSe2 porous nanospheres were prepared by one-step hydrothermal method, and polyaniline (PANI) nanosheets were grown in situ to obtain MoSe2/PANI capsule nanospheres (CNs). By changing the amount of aniline, it was found that MoSe2/PANI-16 CNs had the best electrochemical performance, and a high specific capacitance of 753.2 F g−1 was obtained at a current density of 1 A g−1. In addition, the interface electron transport path was clarified that a C–Mo–Se bridge bonds may be formed for rapid electron transfer. The reaction kinetics was also explored. The large specific surface areas of MoSe2/PANI CNs provided more reactive sites, so that the contribution of pseudocapacitance was much larger than diffusion capacitance. The assembled MoSe2/PANI//activated carbon asymmetric supercapacitor has a energy density of 20.1 Wh kg−1 at a power density of 650 W kg−1. These results indicate that the MoSe2/PANI CNs are a promising electrode material.

Dual Optimization of Back Electrode Interface and Bulk via the Synergistic Passivation Effect of Niobium Pentoxide Enables Efficient Kesterite Solar Cells

As compared to the predecessor Cu(In,Ga)Se2 device, the current efficiency of kesterite Cu2ZnSn(S,Se)4 (CZTSSe) solar cells is still much lower mainly due to the known carriers recombination issue within interface and absorber bulk. In contrast to the majority of researches concerning recombination issues that focus on either single absorber bulk or interface passivation strategy, this study is pioneering in constructing synergistic passivation effects (SPE) to address the bulk and interface recombination issue simultaneously. By introducing a novel niobium pentoxide passivation layer into the back electrode interface (BEI), it is identified that SPE can be constructed due to Nb (& O) diffusion from Nb2O5 layer to absorber bulk and BEI during high‐temperature selenization. The chemical passivation effect is fulfilled via the intrinsic high resistance characteristic of Nb2O5 layer, and also through the NbOx passivation aiming to absorber bulk benefited from Nb (& O) diffusion. Meanwhile, the occupations of Nb (& O) on the Mo (& Se) sites induce a conduction type inversion in MoSe2 interfacial layer and create a preferable interface p+‐Mo(Se,O)2:Nb/CZTSSe, achieving an interfacial field passivation effect. Ultimately, the promoted absorber quality and improved charge carrier transportation from SPE contribute to the boost of device performance beyond 10% efficiency.

Oriented adsorption and efficient sensing of NO2 on MoSe2 monolayer: a comparative study with WSe2 monolayer

Oriented adsorption is very rare on two-dimensional inorganic thin layers. Based on preliminary study, density functional theory (DFT) was used to explore the adsorption and sensing behavior of NO2 on MoSe2 perfect and defective monolayers including selenium vacancy (VSe), molybdenum vacancy (VMo), and antisite defect of selenium on molybdenum site (SeMo) by large-scale sampling. The adsorption energy can reach 0.29 eV with 0.182 e charge transfer on the perfect monolayer. The adsorption ability is improved largely on VSe, VMo, and SeMo monolayers (3.27, 0.93, and 1.20 eV) with considerable charge transfer (0.583, 0.152, and 0.139 e, respectively), demonstrating the potential of MoSe2 monolayers as NO2 sensing materials. Meanwhile, similar to WSe2 monolayer, oriented adsorption of NO2 is disclosed. NO2 molecule extends mainly along the Se–Mo–Se trough and the Se–Mo bond on all the four MoSe2 monolayers. Whereas, the oriented adsorption ability is weaker than the WSe2 monolayer, which can be confirmed by the relatively small proportion of oriented adsorption conformations. This kind of double oriented adsorption behavior (vertical adsorption and adsorption along specific direction of the two-dimensional material) was considered to be due to the good polarity match between molecule and monolayer. Molecular dipole moment and material bond population are believed to be two important parameters that determine the oriented adsorption capacity of molecular-material systems. The successive discovery of the unique oriented adsorption and the deepening of understanding provide chance for molecular design of oriented adsorption of inorganic small molecules on two-dimensional layered materials. The strong dissociation ability of the anionic vacancy monolayer to NO2 molecule indicates that MoSe2 monolayer has a very high adsorption, capture, and activation potential for nitrogen oxides. Comparative study proved that the Mo site activity was less than the W site activity on the perfect monolayer, and defects could help the Mo site activity overtake. These findings provide pivotal guidance for creating advanced surface regulated electronic systems, such as sensors.

Mo doping and Se vacancy engineering for boosting electrocatalytic water oxidation by regulating the electronic structure of self-supported Co9Se8@NiSe.

Oxygen evolution reactions (OERs) are regarded as the rate-determining step of electrocatalytic overall water splitting, which endow OER electrocatalysts with the advantages of high activity, low cost, good conductivity, and excellent stability. Herein, a facile H2O2-assisted etching method is proposed for the fabrication of Mo-doped ultrathin Co9Se8@NiSe/NF-X heterojunctions with rich Se vacancies to boost electrocatalytic water oxidation. After step-by-step electronic structure modulation by Mo doping and Se vacancy engineering, the self-standing Mo-Co9Se8@NiSe/NF-60 heterojunctions deliver a current density of 50 mA cm-2 with an overpotential of 343 mV and a cell voltage of only 1.87 V at 50 mA cm-2 for overall water splitting in 1.0 M KOH. Our study opens up the possibility of realizing step-by-step electronic structure modulation of nonprecious OER electrocatalysts via heteroatom doping and vacancy engineering.

Investigation of electrical transport across the CIGSSe/Mo(Se,S)2 interface of a CIGSSe-based solar cell by experiment and device simulation

In this work, we investigated the electrical transport across the valence band injection barrier at the interface between the Cu(In,Ga)(S,Se)2 absorber layer and the Mo(Se,S)2 layer of the back contact of a chalcopyrite solar cell with respect to their different sulfur contents. For this purpose, samples and modules with three different [S][S]+[Se] (SSSe) ratios in the near vicinity of the interface were produced. The valence band offsets at this interface were determined by means of glow-discharge optical emission spectroscopy and ultraviolet photoelectron spectroscopy (UVPES). Measured current–voltage (IV) characteristics allowed to correlate the roll-over behavior related to the injection barrier with the SSSe composition. We discuss two contradictory findings in literature concerning the layer primarily responsible for the valence band edge offset and the injection barrier it creates, of which both findings could be confirmed in our experiments. We conclude that this could be explained by the sensitivity of the UVPES measurement to local differences in the Mo(Se,S)2 crystal properties. Furthermore, we employ a device simulation model to gain insight into the mechanisms at play at that interface, arriving at the following conclusions: (1) Thermionic emission by itself does not suffice to reproduce the measured IV data under the influence of said barrier. (2) The influence of Na doping on the hole density of the absorber narrows the injection barrier at this interface so that tunneling currents contribute considerably to the injected current, even for significantly large valence band edge offsets of 0.8eV. (3) Light soaking (LS) drastically reduces the roll-over effect, although the difference in bulk carrier concentration and its effect on IV behavior are negligible. Instead, the experimental IV data after LS could be reproduced by a higher interface acceptor trap occupation.

Mechanical properties of Janus MoSSeNTs: A molecular dynamics simulation study

The mechanical properties of single-walled Janus MoSSe nanotubes (MoSSeNTs) were systematically explored by means of classic molecular dynamics simulations. The force field between Mo–S and Mo–Se atoms was simulated through the well-known Stillinger–Weber atomistic potential. Both elastic and plastic responses of MoSSeNTs subjected to different sets of loadings, e.g., tension, compression and torsion, at various temperatures were carefully investigated. Particularly, the phase transition behavior was observed for armchair nanotubes under tensile loading at low temperatures (<300 K), while it does not occur in any other conditions. The fracture properties for each nanotube under tension was discussed. Moreover, the buckling behaviors under both compressive and torsional loadings were also observed and the underline mechanism was carefully analyzed. The dependence of mechanical properties on size, chirality and temperature was presented in detail. The results of this work may provide valuable insights for the sustainability of nanoscale electronic devices based on semiconducting MoSSeNTs.

CO sensing properties of nanostructured WSe2/GaN and MoSe2/GaN based gas sensors

The sensing properties of GaN and hydrothermal synthesized transition metal di-selenides nanostructure decorated WSe 2 /GaN and MoSe 2 /GaN hybrid structures are reported for 100 ppm CO gas for temperature range of 27 °C–250 °C. The fabricated devices divulged that Schottky Barrier Height increases from 0.6 eV to 1.2 eV with increment in temperature while vice versa was perceived for series resistance, except for MoSe 2 /GaN structure. The gas sensing measurements revealed that the threshold temperature for CO sensing for GaN, WSe 2 /GaN and MoSe 2 /GaN based sensors was 100 °C, 100 °C and 150 °C along with a peak response value of 23.3 %, 38.8 % and 43.1 %, respectively. The gas sensing data displayed a highly competitive response & recovery time as all the fabricated devices were able to detect CO within 78 s of exposure. The recovery time of the devices varied in a similar fashion, demonstrating the promising potential of W(Mo)Se 2 /GaN hybrid structures for efficient CO gas detection. • GaN & TMDC hybrid structure based sensor for CO gas sensing. • Hydrothermally synthesized WSe 2 and MoSe 2 nanostructured on GaN for CO gas sensing. • Threshold temperature for CO sensing for GaN & its heterostructure varies between 100 o C- 150 °C. • MoSe 2 /GaN & WSe 2 /GaN devices with highly competitive response & recovery time is fabricated.

Half-metallic ferromagnetic properties of Mn-doped MoSe&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt; and its heterostructure

<p indent="0mm">We use the first-principle method to investigate the crystal structure, electronic structure, and magnetic properties of a Mn-doped MoSe₂ monolayer (Mo_0.75Mn_0.25Se₂). The spin-up electrons exhibit metallic properties, whereas the spin-down electrons exhibit insulating properties, indicating the half-metallic properties of Mo_0.75Mn_0.25Se₂. The density of states shows a strong coupling between dopant Mn 3d orbitals via the Mo 4d and Se 4p states. We investigate the dispersion relation of the spin-spiral energy <italic>E</italic>(<bold>q</bold>) and the wave vector <bold>q</bold> for Mo_0.75Mn_0.25Se₂ under the generalized Bloch condition. The exchange coupling coefficient<italic> J</italic>_{<italic>i</italic>} (<italic>i</italic> = 1, 2, 3, and 4) is obtained using the Heisenberg interaction model. The next-nearest-neighbor interaction exchange coupling coefficient <italic>J</italic>₂ is non-negligible, although the first nearest neighbor, <italic>J</italic>₁, plays the most important role in the interaction between atoms. Because Mo_0.75Mn_0.25Se₂ is a two-dimensional (2D) metal material that can easily undergo oxidation, we use insulating MoSe₂ to fabricate a MoSe₂/Mo_0.75Mn_0.25Se₂/MoSe₂ heterostructure. First-principle calculations results show that the half-metallic ferromagnetic properties of Mo_0.75Mn_0.25Se₂ can be protected very well in the heterostructure. The findings of this study can promote the understanding of the mechanism of 2D half-metallic ferromagnetic properties and provide a general method for designing materials that show such properties with stability.

Comparison of the tribological parameters of solid lubricating coatings based on molybdenum diselenide, deposited in different ways to parts of friction units, operated under normal atmospheric pressure and in vacuum

The tribological characteristics of solid lubricating coatings (SLC) based on Mo—Se—C by various methods of deposition in vacuum and at normal atmospheric pressure are investigated. It is established that the linear wear rate of SLC of magnetron deposition on DC324 direct current practically coincides with that of VNII NP 212 SLC based on МоS2 of suspension deposition. The coating obtained by chemical-thermal treatment (CTT) with selenium of the molybdenum base is an order of magnitude inferior in this parameter. The friction coefficients of DC324 SLC and МоSe2 CTT are in 2—3 times lower than that of VNII NP 212 SLC of suspension deposition for friction modes corresponding to a surface temperature of 36.5÷59.2 °C. Keywords: solid lubricating coating, tribological indicators, diffusion and magnetron-radio frequency deposition, normal atmospheric pressure, vacuum. chopinp@mail.ru, silyaolya@yandex.ru, grib-vladimir.g@ya.ru

Heterogeneous MoSe2/Nitrogen‐Doped‐Carbon Nanoarrays: Engineering Atomic Interface for Potassium‐Ion Storage

AbstractOwing to the lower price and higher safety, developing high‐performance K‐ion batteries (KIBs) is of great significance as an alternative to Li‐ion batteries. High‐energy‐density MoSe2 has been identified as a promising anode material for KIBs; however, its electrochemical reversibility remains a big challenge. Herein, heterogenous MoSe2/N‐doped carbon nanoarrays demonstrate a brilliant performance as KIBs anode materials. The as‐formed hetero‐interface weakens the KSe bond of discharged products (K2Se), the length of KSe bond is stretched by 3.9% with an enlargement of 19.2% in angle compared with pure K2Se, greatly promoting the regeneration of MoSe bond during charge. Moreover, the atomically inter‐overlapping feature leads to an expanded MoSe2 interlayer distance of 1.20 nm that enables a much faster K‐ion diffusion. Consequently, this nanoarray delivers an unprecedented K‐ion storage performance, that is, a capacity of 402 mAh g−1 at 0.2 A g−1 over 200 cycles, and a long cycle life over 1000 cycles at 1.0 A g−1 with 307 mAh g−1 capacity retention.

2D gallium molybdenum selenide grown on a hollow carbon nanofibrous aerogel for high-efficiency electroreduction of nitrogen: Optimized basal plane activity via selenium vacancy modulation

Herein, a novel, Se-vacancy-modulable Ga–Mo–Se layered compound (GayMo1–ySe2–x) is synthesized by rational incorporation of two different kinds of 2D chalcogenides, i.e., transition metal dichalcogenide (MoSe2) and post-transition metal monochalcogenide (GaSe). The strained effect originating from their lattice misfit (∼13 %) and the electron nonequilibrium between Mo4+ and Ga2+ induce abundant Se vacancies, whose concentration can be arbitrarily modulated to optimize the basal plane activity. Moreover, a highly porous and conductive hollow carbon nanofibrous aerogel is synthesized for the first time, which serves as an ideal matrix for the in-situ growth of 2D GayMo1–ySe2–x due to integrated 3D percolation network and sufficient electrode–electrolyte contact. The unique architecture and optimized activity contribute to an advanced catalyst towards high-efficiency N2 fixation, delivering an NH3 yield of 2.57 × 10–10 mol s–1 cm–2 and a Faradaic efficiency of 26.5 % at –0.3 V vs. RHE in 0.1 M Na2SO4.

First-principles calculations to investigate the electronic and optical properties of (MoS2)4-n/(MoSSe)n lateral heterostructure

The electronic properties, work function, and optical properties of the lateral heterostructure formed after combining MoS2 and Janus MoSSe ((MoS2)4-n/(MoSSe)n, where n is the width of Janus MoSSe) have been investigated comparatively using first-principles calculations. The electronic structure analysis shows that the band gaps decrease from 1.69 eV for (MoS2)4/(MoSSe)0–1.41 eV for (MoS2)0/(MoSSe)4. Based on the calculated density of states calculations, the valence band edge (VBE) is mainly contributed by Mo 4d states, while the conduction band edge (CBE) is originated from the contribution of Mo 4d and Se 4p orbital hybridization. As the width n increases, the average positive charge on Mo atoms decreases, while the average charge on Se increases. As a consequence, there is a significant enhancement of the built-in electric field in the z-direction, inducing the work functions changed from 6.17 eV for (MoS2)4/(MoSSe)0–5.22 eV for (MoS2)0/(MoSSe)4. The results of this study imply that forming (MoS2)4-n/(MoSSe)n lateral heterostructure systems which can have adjustable work function and built-in electric field, bring new properties and great potential in different applications.

Hollow Co–Mo–Se nanosheet arrays derived from metal-organic framework for high-performance supercapacitors

Developing novel materials with rational structures and excellent electrical conductivity is vitally important for energy storage devices. Herein, hollow cobalt molybdenum selenide (Co–Mo–Se) nanosheet arrays are fabricated via a self-sacrificing template method and selenization process, where cobalt-organic framework serves as the template. Benefiting from unique hollow nanoarrays structure, the Co–Mo–Se electrode offers rich electroactive sites, large accessible regions for electrolyte, and short ions diffusion pathways. Additionally, it is observed that the Co–Mo–Se possesses a low charge transfer resistance owing to the intrinsic metallicity. As a result, the Co–Mo–Se electrode exhibits favorable energy storage properties, including high capacity (221.7 mAh g−1), good rate property, and outstanding stability (95% after 8000 cycles). More importantly, the assembled Co–Mo–Se//active carbon (AC) achieves high energy density (44.7 Wh kg−1) and remarkable durability. Notably, two hybrid devices connected in series successfully power an electronic watch for 70 min, demonstrating its practical applicability. These results indicate that the synthesized hollow Co–Mo–Se nanosheet arrays have promising applications as electrode materials for high-performance energy storage devices.

Strain tunable electronic states of MoSe2 monolayer

First-principles calculations were carried out to study the influence of strain on the electronic structure of MoSe2 monolayer. Both uniaxial and biaxial strain were taken into consideration, and our calculations reveal that MoSe2 monolayer can tolerate a large range of elastic strain. More importantly, the electronic structure of MoSe2 monolayer can be significantly tuned by strain, which is attributed to the redistribution of Mo 4d and Se 4p orbitals. However, the strained MoSe2 monolayer still maintains the semiconductor properties, although its bandgap undergoes a transition from direct to indirect over a certain amount of strain.

Co–Mo–Se ternary chalcogenide thin film coatedp-Si photocathode for efficient solar hydrogen production

Photoelectrochemical (PEC) water splitting holds a great promise for clean and sustainable hydrogen production. In this study, the PEC performance of Co–Mo–Se ternary chalcogenide thin film coated Si photocathodes is investigated. The Co–Mo–Se films with various Co/Mo atomic ratios were prepared by thermal selenization of sputter deposited Co–Mo alloy films. Among the photocathodes, the Co–Mo–Se (3:10)/[Formula: see text]-Si surpasses the PEC performance of the MoSe2/[Formula: see text]-Si with an onset potential of +124 mV vs. reversible hydrogen electrode (RHE), a photocurrent density of −22.68 mA/cm2at zero overpotential and good stability over 6 h period of test. The superior performance of the Co–Mo–Se (3:10)/[Formula: see text]-Si is ascribed to the high catalytic activity of the film in hydrogen evolution reaction (HER) and efficient collection of photogenerated charge carriers. Such ternary chalcogenide thin films offer exciting opportunities for many applications in which the physicochemical properties can be tuned by changing the relative amount of the solute atoms.

Toward Rapid-Charging Sodium-Ion Batteries using Hybrid-Phase Molybdenum Sulfide Selenide-Based Anodes.

To attain both high energy density and power density in sodium-ion (Na+ ) batteries, the reaction kinetics and structural stability of anodes should be improved by materials optimization. In this work, few-layered molybdenum sulfide selenide (MoSSe) consisting of a mixture of 1T and 2H phases is designed to provide high ionic/electrical conductivities, low Na+ diffusion barrier, and stable Na+ storage. Reduced graphene oxide (rGO) is used as a conductive matrix to form 3D electron transfer paths. The resulting MoSSe@rGO anode exhibits high capacity and rate performance in both organic and solid-state electrolytes. The ultrafast Na+ storage kinetics of the MoSSe@rGO anode is attributed to the surface-dominant reaction process and broad Na+ channels. In situ and ex situ measurements are conducted to reveal the Na+ storage process in MoSSe@rGO. It is found that the MoS and MoSe bonds effectively limit the dissolution of the active materials. The favorable Na+ storage kinetics of the MoSSe@rGO electrode are ascribed to its low adsorption energy of -1.997eV and low diffusion barrier of 0.087eV. These results reveal that anion doping of metal sulfides is a feasible strategy to develop sodium-ion batteries with high energy and power densities and long life-span.

Mechanistic insights into charge carrier dynamics in MoSe2/CdS heterojunctions for boosted photocatalytic hydrogen evolution

It is highly desirable to design an efficient photocatalysis system via manipulating electrons migration pathways for optimal hydrogen production from water splitting. Herein, flower-like MoSe2 has been employed as the co-catalyst to couple with cubic CdS nanoparticles for the in-situ construction of MoSe2/CdS heterojunction photocatalysts. Experimental investigations suggest that the photogenerated electrons can transfer across a space charge region between the MoSe2/CdS through the S–Mo–Se bonding, resulting in faster charge carriers separation and hence more long-lived electrons to participate in the hydrogen evolution reaction (HER). These insights are also supported by density functional theory (DFT)-based theoretical calculation. The dynamics of the photo-excited electrons was also investigated by ultrafast transient absorption spectroscopy. Furthermore, MoSe2 can afford more active sites for absorbing the protons for H2-evolution reactions, thereby accelerating the sluggish hydrogen evolution kinetics. Therefore, under visible-light irradiation, a remarkably enhanced photocatalytic H2 generation has been achieved in the MoSe2/CdS heterojunction (4.7 mmol g−1 h−1) compared to mechanically mixed sample (3.3 mmol g−1 h−1) and Pt-decorated CdS (1.3 mmol g−1 h−1). The external quantum efficiency of the MoSe2/CdS heterojunction toward HER has been determined to be 15.6% at 450 nm. This work not only provides a rational design for utilizing abundant elements to develop high-performance photocatalysts, but also pave the way to understand the photogenerated carriers transfer dynamics.