CN116328797A - Heterojunction material with high solar hydrogen production rate and application thereof - Google Patents
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Abstract
The invention relates to a heterojunction material with high solar hydrogen production rate and application thereof, and belongs to the technical field of semiconductor heterojunction. 1T phase HfS in the heterojunction material 2 The two-dimensional semiconductor layers are stacked on the beta-SnSe two-dimensional semiconductor layers with six-membered ring boat conformation, and vacuum layers are arranged between the layers. Wherein HfS is 2 4 stacking modes are arranged between the two-dimensional semiconductor layer and the beta-SnSe two-dimensional semiconductor layer, and the formed heterojunction material is of a tetragonal structure. In the heterojunction material, oxidation reaction and reduction reaction occur on different semiconductor layers, the band edge potential is influenced by the vacuum energy level of each semiconductor layer, and the oxidation potential and the reduction potential are not directly related any more, so that the condition of 1.23eV difference is not needed, the band gap is not required, the light absorption is increased, and the application of the heterojunction material in photocatalysis is ensured. The calculation result shows that HfS 2 Solar conversion of/beta-SnSe heterojunction material into hydrogenThe efficiency (STH) of the catalyst can reach 14.29 percent, and the catalyst has huge application potential in commerce.
Description
Technical Field
The invention belongs to the technical field of semiconductor heterojunction, and relates to a heterojunction material with high solar hydrogen production rate and application thereof.
Background
With the continuous development of social economy, a large amount of fossil fuels are developed and utilized, and thus the environmental pollution problem is increasingly serious. In order to avoid natural disasters caused by environmental pollution, efforts are being made to find suitable clean energy sources.
Electric energy, wind energy, tidal energy and solar energy are currently known as clean energy sources that can be used in the production of human life. Among them, most abundant and clean with solar energy. Most of solar energy is not directly utilized, but is often converted into bioenergy, heat energy and electric energy for living beings and human beings in nature to perform life activities. In recent years, the conversion of solar energy into chemical energy has become a hotspot for research by researchers. The process of converting solar energy into chemical energy is to utilize solar energy to promote chemical reaction with the aid of photocatalytic material. In the process, the photocatalytic material absorbs solar energy, electrons and hole pairs with oxidation-reduction capability are generated in the photocatalytic material, substances in the reaction system of the electrons and the hole pairs are reduced or oxidized to generate corresponding products or generate corresponding effects, so that the photocatalytic reaction is completed, and the conversion from solar energy to chemical energy is realized. Photocatalytic reactions are now used in a variety of applications. Wherein, electrons and holes generated in the photocatalysis reaction process can reduce and oxidize protons and oxygen anions in water to generate hydrogen and oxygen. The hydrogen is clean, has high heat value and can be used as raw materials for various chemical products, so that the utilization mode is called an optimal solar energy conversion mode. For this reason, scientists have begun to continually explore suitable photocatalytic materials.
With the discovery of graphene, the superiority of two-dimensional materials is gradually revealed in front of human beings. Today, the scientific research means are very different, and two-dimensional materials can be prepared by means of mechanical dissociation, thermal stripping or chemical methods and the like and are independently studied. Compared with the three-dimensional material, the two-dimensional material has unique optical properties and electrical properties, so that the two-dimensional material plays an irreplaceable role in the new high-tech fields of electronic materials, batteries and the like. Meanwhile, the catalyst also has the characteristics of large surface area, multiple redox sites and good carrier mobility, so that the catalyst also has good application prospect in photocatalysis. Therefore, the research of two-dimensional semiconductor material hydrogen production catalysts has been receiving attention in the past decades.
Within the family of two-dimensional semiconductor materials, hfS 2 Also calculated and predicted as transition metal dichalcogenides are materials useful for photocatalytic hydrolysis hydrogen production, but one-component HfS 2 The photocatalytic effect is not obvious. For this reason, researchers have explored solutions such as doping, structural design, surface defect engineering, construction of heterojunctions, and the like. Research shows that the construction contains HfS 2 The two-dimensional semiconductor heterojunction of the (B) can overcome the limit between the band gap and the oxidation-reduction capability of the material, and can obtain ideal band gap, band edge position and light absorption spectrum, thereby overcoming single-layer HfS 2 The material has low hydrogen production efficiency in photocatalytic hydrolysis. Based on the fact that HfS is not related at present 2 The invention develops HfS with high solar hydrogen production rate based on the report of beta-SnSe heterojunction material in photocatalytic hydrogen production 2 The beta-SnSe heterojunction material provides a new idea for photocatalytic hydrolysis hydrogen evolution.
Disclosure of Invention
Accordingly, it is an object of the present invention to provide a heterojunction material with high solar hydrogen production rate; the second purpose of the invention is to provide the application of the heterojunction material with high solar hydrogen production rate in the aspect of photocatalytic hydrolysis hydrogen evolution.
In order to achieve the above purpose, the present invention provides the following technical solutions:
1. heterojunction material with high solar hydrogen production rate, wherein HfS is adopted in the heterojunction material 2 A two-dimensional semiconductor layer is stacked on the beta-SnSe two-dimensional semiconductor layer, the HfS 2 A vacuum layer is arranged between the two-dimensional semiconductor layer and the beta-SnSe two-dimensional semiconductor layer;
the conformation of the beta-SnSe two-dimensional semiconductor layer is six-membered ring ship type; the HfS 2 The two-dimensional semiconductor layer is 1T phase; the heterojunction material is of a tetragonal structure and is specifically shown as follows:
wherein, black spheres in the upper layer represent Hf atoms, and white spheres represent S atoms; black spheres in the lower layer represent Sn atoms and white spheres represent Se atoms;
the stacking mode is any one of a 1-type stacking, a 2-type stacking, a 3-type stacking or a 4-type stacking;
the type 1 stacking is to stack the HfS 2 The two-dimensional semiconductor layer is directly stacked on the beta-SnSe two-dimensional semiconductor layer;
the 2-type stacking is to move the beta-SnSe two-dimensional semiconductor layer to the x direction on the basis of the 1-type stacking
The 3-type stacking is to move the beta-SnSe two-dimensional semiconductor layer to the y direction on the basis of the 1-type stacking
The 4-type stacking is to move the beta-SnSe two-dimensional semiconductor layer to the x direction on the basis of the 1-type stacking
In the y directionMove->
Preferably, the vacuum layer has a thickness of
2. The heterojunction material is applied to photocatalytic hydrolysis hydrogen evolution.
The invention has the beneficial effects that: the invention provides a heterojunction material with high solar hydrogen production rate. 1T phase HfS in the heterojunction material 2 The two-dimensional semiconductor layers are stacked on the beta-SnSe two-dimensional semiconductor layer having a six-membered ring boat conformation, and a vacuum layer is present between the two-dimensional semiconductor layers. Wherein, beta-SnSe two-dimensional semiconductor layer and HfS 2 4 different stacking modes are adopted between the two-dimensional semiconductor layers, namely HfS 2 The two-dimensional semiconductor layer is directly stacked on the beta-SnSe two-dimensional semiconductor layer (type 1 stacking mode), hfS 2 The two-dimensional semiconductor layer stack is moved in the x-direction
On a beta-SnSe two-dimensional semiconductor layer (type 2 stacking mode), hfS 2 The two-dimensional semiconductor layer stack is moved in the y-direction +.>
On a beta-SnSe two-dimensional semiconductor layer (type 3 stacking mode) and HfS 2 The two-dimensional semiconductor layer stack is moved in the x-direction>
Move in y direction +.>
Is arranged on the beta-SnSe two-dimensional semiconductor layer (4-type stacking mode). From a beta-SnSe two-dimensional semiconductor layer and HfS 2 HfS formed of two-dimensional semiconductor layer 2 The beta-SnSe heterojunction material has a tetragonal structure. Oxidation reaction in the heterojunction materialThe oxidation potential and the reduction potential are not directly related any more, and therefore, the condition of 1.23eV difference is not needed. The heterojunction material maintains good light absorption capacity of each layer forming the heterostructure along different directions, so that the heterojunction material has strong light absorption capacity in the visible light to ultraviolet light region. Through calculation, hfS is found 2 The efficiency (STH) of converting solar energy of/beta-SnSe into hydrogen can reach 14.29 percent, compared with WSSe/WSe 2 Heterojunction material, hfS 2 The STH value of the SiSe heterojunction material, the Bi/InTe heterojunction material and the AuSe/SnS heterojunction material is maximum, and the SiSe heterojunction material and the AuSe/SnS heterojunction material have huge application potential in commerce.
Additional advantages, objects, and features of the invention will be set forth in part in the description which follows and in part will become apparent to those having ordinary skill in the art upon examination of the following or may be learned from practice of the invention. The objects and other advantages of the invention may be realized and obtained by means of the instrumentalities and combinations particularly pointed out in the specification.
Drawings
For the purpose of making the objects, technical solutions and advantages of the present invention more apparent, the present invention will be described in the following preferred detail with reference to the accompanying drawings, in which:
FIG. 1 shows HfS in examples 1 to 4 2 Top and side views of a molecular structure of a two-dimensional semiconductor layer and a beta-SnSe two-dimensional semiconductor layer, wherein (a) is HfS 2 A top view and a side view of a molecular structure of the two-dimensional semiconductor layer, (b) a top view and a side view of a molecular structure of the beta-SnSe two-dimensional semiconductor layer;
FIG. 2 is a diagram of HfS in the heterojunction materials of examples 1-4 2 A stacking mode of the two-dimensional semiconductor layer and the beta-SnSe two-dimensional semiconductor layer, wherein (a) is a 1-type stacking mode, (b) is a 2-type stacking mode, (c) is a 3-type stacking mode, and (d) is a 4-type stacking mode;
FIG. 3 is HfS in example 1 2 A workflow chart of preparing hydrogen by participating in photocatalytic decomposition of water by the beta-SnSe heterojunction material;
fig. 4 is HfS in example 1 2 An operation schematic diagram of the beta-SnSe heterojunction material;
fig. 5 is HfS 2 Two-dimensional semiconductor material, beta-SnSe two-dimensional semiconductor material, and HfS in example 1 2 The energy band characteristic diagrams of the beta-SnSe heterojunction materials under the PBE functional and the HSE06 hybridization functional respectively, wherein (a) is the energy band characteristic diagram of the beta-SnSe two-dimensional semiconductor material under the PBE functional and the HSE06 hybridization functional respectively, and (b) is HfS 2 The two-dimensional semiconductor material is respectively provided with an energy band characteristic diagram corresponding to PBE functional and HSE06 hybridization functional, and (c) is HfS 2 The beta-SnSe heterojunction material is respectively provided with an energy band characteristic diagram corresponding to the PBE functional and the HSE06 hybridization functional;
FIG. 6 is HfS in example 1 2 Differential charge density of the/β -SnSe heterojunction material;
FIG. 7 is HfS 2 Two-dimensional semiconductor material, beta-SnSe two-dimensional semiconductor material, and HfS in example 1 2 The light absorption spectrum of the beta-SnSe heterojunction material under the HSE06 functional, wherein (a) is the absorption spectrum of each material in the x direction, and (b) is the absorption spectrum of each material in the y direction;
FIG. 8 is a WSSe/WSe 2 Heterojunction material, hfS 2 SiSe heterojunction material, bi/InTe heterojunction material, auSe/SnS heterojunction material, and HfS in example 1 2 Comparison of solar hydrogen production rate (STH) for beta-SnSe heterojunction materials.
Detailed Description
Other advantages and effects of the present invention will become apparent to those skilled in the art from the following disclosure, which describes the embodiments of the present invention with reference to specific examples. The invention may be practiced or carried out in other embodiments that depart from the specific details, and the details of the present description may be modified or varied from the spirit and scope of the present invention. It should be noted that the illustrations provided in the following embodiments merely illustrate the basic idea of the present invention by way of illustration, and the following embodiments and features in the embodiments may be combined with each other without conflict.
Example 1
Heterojunction material with high solar hydrogen production rate, wherein 1T phase HfS in heterojunction material 2 The two-dimensional semiconductor layer is directly stacked on the beta-SnSe two-dimensional semiconductor layer with six-membered ring ship conformation (type 1 stacking mode), and the thickness between the layers is as follows
Is provided.
Example 2
Heterojunction material with high solar hydrogen production rate, wherein 1T phase HfS in heterojunction material 2 The two-dimensional semiconductor layer stack is moved in the x-direction
On a beta-SnSe two-dimensional semiconductor layer with six-membered ring boat conformation (type 2 stacking mode), and a thickness of +.>
Is provided.
Example 3
Heterojunction material with high solar hydrogen production rate, wherein 1T phase HfS in heterojunction material 2 The two-dimensional semiconductor layer stack is moved in the y-direction
On a beta-SnSe two-dimensional semiconductor layer with six-membered ring boat conformation (3-type stacking mode), and a thickness of +.>
Is provided.
Example 4
Heterojunction material with high solar hydrogen production rate, wherein 1T phase HfS in heterojunction material 2 The two-dimensional semiconductor layer stack is moved in the x-direction
Move in y direction +.>
On a beta-SnSe two-dimensional semiconductor layer with six-membered ring boat conformation (4-type stacking mode), and a thickness of +.>
Is provided.
HfS in examples 1 to 4 2 The top view and the side view of the molecular structure of the two-dimensional semiconductor layer and the beta-SnSe two-dimensional semiconductor layer are shown in FIG. 1. Wherein (a) in FIG. 1 is HfS 2 From the top view and the side view of the molecular structure of the two-dimensional semiconductor layer, it can be seen that the Hf atomic layer is located between the two S atomic layers, belonging to the 1T phase; (b) The two-dimensional semiconductor layer molecular structure of beta-SnSe is a top view and a side view, and the ship-shaped conformation of the six-membered ring consisting of 3 Sn and 3 Se can be seen from the top view.
HfS in heterojunction Material in examples 1-4 2 The 4 stacking modes of the two-dimensional semiconductor layer and the beta-SnSe two-dimensional semiconductor layer are shown in FIG. 2, wherein (a) is a type 1 stacking mode, (b) is a type 2 stacking mode, (c) is a type 3 stacking mode, and (d) is a type 4 stacking mode. As can be seen from fig. 2, the 4 stacking modes are HfS 2 The two-dimensional semiconductor layer is above and the beta-SnSe two-dimensional semiconductor layer is below. The beta-SnSe two-dimensional semiconductor layer has certain movement in the x and y directions (the upper and lower positions of Sn and Se are changed), and a vacuum layer (blank in the figure) is arranged between the upper and lower layers.
HfS 2 And the beta-SnSe two-dimensional semiconductor material belongs to an orthorhombic system, and the lattice constants of the two materials are calculated and geometrically optimized respectively. Wherein HfS is 2 Is of the lattice constant of
beta-SnSe having a lattice constant of +.>
By calculation, the heterojunction material pair is foundThe lattice mismatch rate is within the allowable range of the heterojunction (delta<8%). By adding +.>
Is free from interlayer interaction caused by periodic boundary conditions, and constructs a novel HfS 2 beta-SnSe heterojunction material. To obtain the most stable HfS 2 The beta-SnSe heterojunction materials establish the relation between the stacking type, the interlayer spacing and the bonding energy, and compare the stability of the heterojunction material structures formed by different stacking modes in examples 1-4, and the test results are shown in Table 1.
Table 1 HfS in comparative examples 1 to 4 2 Structural stability of beta-SnSe heterojunction material
As can be seen from Table 1, hfS was stacked in a type 1 stacking manner 2 The beta-SnSe heterojunction material has minimal binding energy. Therefore, its corresponding structure is most stable. For HfS 2 And beta-SnSe, the interlayer spacing is
HfS in example 1 2 The beta-SnSe heterojunction material is used as a photocatalyst and used for preparing hydrogen by photocatalytic water, and the working flow chart of the beta-SnSe heterojunction material is shown in figure 3. As can be seen from fig. 3, hfS under sun illumination 2 the/beta-SnSe heterojunction material converts water into hydrogen. The specific working principle is shown in figure 4: in HfS 2 In the beta-SnSe heterogeneous material, the flow direction of the photo-generated electrons is changed under the action of an electric field. Photo-generated electrons are generated from HfS respectively 2 The valence band of the two-dimensional semiconductor layer and the beta-SnSe two-dimensional semiconductor layer transitions to the conduction band, leaving respective photogenerated holes on the valence band. HfS (HfS) 2 Two-dimensional semiconductorThe photo-generated electrons in the layer move leftwards under the influence of the direction of the electric field, and the holes on the valence band of the beta-SnSe two-dimensional semiconductor layer are subjected to photo-generated carrier recombination, so that the photo-generated carriers are recombined in the HfS 2 The valence band of the two-dimensional semiconductor layer leaves holes, and the conduction band of the beta-SnSe two-dimensional semiconductor layer leaves electrons, so that a large number of electrons and holes can be accumulated for oxidation-reduction reaction. According to the energy band formula of photocatalytic water splitting, the two-dimensional semiconductor layer must satisfy:
but in HfS 2 In the beta-SnSe heterogeneous material, oxidation and reduction reactions occur on different semiconductor layers, the band edge potential is influenced by the vacuum energy levels of the layers, and the oxidation potential and the reduction potential are not directly related any more, so that the condition of 1.23eV difference is not needed. Because light absorption occurs on the two-dimensional semiconductor layers respectively, the two-dimensional semiconductor layers are not limited by the band gaps of the single two-dimensional semiconductor layers, and each two-dimensional semiconductor layer only needs to meet the oxidation or reduction potential requirement on the top or bottom of the valence band and has no requirement on the band gaps, so that the two-dimensional semiconductor layers with smaller relative band gaps can be selected to form a heterojunction, the light absorption is increased to improve the solar hydrogen conversion rate (namely, the oxidation-reduction capability) and the light absorption is reserved to the greatest extent while the carrier recombination rate is reduced.
In HfS 2 Electrons in the/beta-SnSe heterojunction material absorb energy to stimulated transition from the valence band to the conduction band, leaving the photogenerated holes in the valence band. Wherein the photo-generated electrons have a reducing ability and transition to HfS 2 After the surface of the beta-SnSe heterojunction material is coated, H in water can be treated + Reduction reaction is carried out to lead H + Reducing into hydrogen; the photogenerated holes in the valence band have an oxidizing ability to oxidize water to oxygen (a specific reaction process is shown in the following reaction scheme). The whole process realizes the conversion from solar energy to chemical energy.
beta-SnSe two-dimensional semiconductor material (shown as (a) in fig. 5) and HfS are respectively subjected to hybridization by using PBE functional and HSE06 functional 2 Two-dimensional semiconductor material (as shown in fig. 5 (b)) and HfS in example 1 2 The energy band analysis was performed on the/β -SnSe heterogeneous material (as shown in FIG. 5 (c)). As can be seen from FIG. 5, VBM (valence band) is provided by the β -SnSe two-dimensional semiconductor layer, and CBM (conduction band) is provided by HfS 2 Two-dimensional semiconductor layer providing, hfS 2 the/beta-SnSe heterogeneous material has a small indirect bandgap of 0.64 eV. Thus, holes in the beta-SnSe two-dimensional semiconductor layer and HfS 2 The recombination of electrons in the two-dimensional semiconductor layer will be faster than the recombination of carriers in the layers. Furthermore, hfS 2 The beta-SnSe heterogeneous material has a staggered energy band structure, and is beneficial to the effective separation of photo-generated electron holes.
For HfS in example 1 2 The/β -SnSe heterogeneous material was subjected to differential charge density analysis (wherein the electron density difference was set to 0.00015), and the analysis result is shown in fig. 6. As can be seen from fig. 6, the material is effective in improving charge transfer due to the larger contact area in the vicinity of the material. The charge distribution is described using a three-dimensional differential charge density method. The charge density difference is defined as the following equation:
wherein (1)>
Representing HfS 2 Charge density of beta-SnSe heterogeneous materials，/>
Representing HfS 2 Charge density, ρ, of two-dimensional semiconductor layer β-SnSe Representing the charge density of the beta-SnSe two-dimensional semiconductor layer. According to the above-mentioned set isosurface, deltaρ>0.00015 is the accumulation of charge density, Δρ<0.00015 is the charge density drain. In the formation of HfS 2 After the/β -SnSe heterojunction materials, there is a spatial redistribution of charge density, particularly in the vicinity of their interface regions, where there is an accumulation and depletion of electrons. Wherein HfS is 2 The electron charge density near the two-dimensional semiconductor layer accumulates and the electron charge density near the beta-SnSe two-dimensional semiconductor layer is depleted. Electrons in the two semiconductor layers are able to effect a transition from VBM to CBM when appropriate light is irradiated to the heterojunction material; spontaneous charge transfer in the heterojunction generates an internal electric field directed from the beta-SnSe layer to the HfS 2 A layer. The existence of the built-in electric field near the interface effectively improves the utilization efficiency of sunlight.
The strong light absorption property in the full visible light region is a primary condition as a high-efficiency water-splitting photocatalyst, and thus for HfS in example 1 2 The light absorption analysis is carried out on the beta-SnSe heterojunction material, and the experimental result is shown in FIG. 7. As can be seen from FIG. 7 (a), the heterojunction material has a strong light absorption peak at a phonon energy of 3.93eV, which is 4.25X10, along the x-direction 5 cm -1 The method comprises the steps of carrying out a first treatment on the surface of the As can be seen from FIG. 7 (b), the heterojunction material has a strong light absorption peak at a phonon energy of 2.96eV, which is 4.40X10, along the y-direction 5 cm -1 。HfS 2 The beta-SnSe heterojunction material retains good light absorption capacity of each layer forming the heterostructure along different directions, so that the heterostructure has strong light absorption capacity in the visible light to ultraviolet light region. Excellent light absorbing ability ensures HfS 2 Application of beta-SnSe heterojunction material in photocatalysis. Solar energy conversion efficiency is a key index for measuring the performance of photocatalytic materials. Thus, hfS is calculated by the following formula 2 Efficiency of solar energy conversion to hydrogen (STH) of/beta-SnSe heterojunction material and WSSe/WSe 2 Heterogeneous materialJunction material, hfS 2 Comparing the STH of the SiSe heterojunction material, the Bi/InTe heterojunction material and the AuSe/SnS heterojunction material.
Where P (hω) is the AM1.5G solar flux at photon energy hω, and the integral of 0 to +.infinity represents the total power density of the incident sunlight. Δg represents the potential difference of water decomposition, and E is the larger band gap in the two monolayers.
The calculation result is shown in fig. 8. From FIG. 8, it can be seen that WSSe/WSe 2 STH of heterojunction material 9.10%, hfS 2 STH of the SiSe heterojunction material is 9.41%, STH of the Bi/InTe heterojunction material is 9.67%, STH of the AuSe/SnS heterojunction material is 11.41%, hfS 2 The STH of the beta-SnSe heterojunction material reaches 14.29 percent. From this, it can be shown that HfS in the present invention 2 The beta-SnSe heterojunction material has excellent photocatalytic performance and has huge application potential in commerce.
In summary, the invention provides a heterojunction material with high solar hydrogen production rate. 1T phase HfS in the heterojunction material 2 The two-dimensional semiconductor layers are stacked on the beta-SnSe two-dimensional semiconductor layers with six-membered ring ship conformation, and vacuum layers and Van der Waals force exist between the layers. beta-SnSe two-dimensional semiconductor layer and HfS 2 4 stacking modes are arranged between the two-dimensional semiconductor layers, and the formed heterojunction material has a tetragonal structure. In the heterojunction material, oxidation reaction and reduction reaction occur on different semiconductor layers, the band edge potential is influenced by the vacuum energy levels of the layers, and the oxidation potential and the reduction potential are not directly related any more, so that the condition of 1.23eV difference is not needed. Calculations indicate that HfS 2 The efficiency (STH) of converting solar energy into hydrogen of the beta-SnSe heterojunction material reaches 14.29%, and the beta-SnSe heterojunction material can be widely applied to photocatalytic water preparation of hydrogen.
Finally, it is noted that the above embodiments are only for illustrating the technical solution of the present invention and not for limiting the same, and although the present invention has been described in detail with reference to the preferred embodiments, it should be understood by those skilled in the art that modifications and equivalents may be made thereto without departing from the spirit and scope of the present invention, which is intended to be covered by the claims of the present invention.
Claims (3)
1. A heterojunction material with high solar hydrogen production rate, characterized in that: hfS in the heterojunction material 2 A two-dimensional semiconductor layer is stacked on the beta-SnSe two-dimensional semiconductor layer, the HfS 2 A vacuum layer is arranged between the two-dimensional semiconductor layer and the beta-SnSe two-dimensional semiconductor layer;
the conformation of the beta-SnSe two-dimensional semiconductor layer is six-membered ring ship type; the HfS 2 The two-dimensional semiconductor layer is 1T phase; the heterojunction material is of a tetragonal structure and is specifically shown as follows:
wherein, black spheres in the upper layer represent Hf atoms, and white spheres represent S atoms; black spheres in the lower layer represent Sn atoms and white spheres represent Se atoms;
the stacking mode is any one of a 1-type stacking, a 2-type stacking, a 3-type stacking or a 4-type stacking;
the type 1 stacking is to stack the HfS 2 The two-dimensional semiconductor layer is directly stacked on the beta-SnSe two-dimensional semiconductor layer; the 2-type stacking is to move the beta-SnSe two-dimensional semiconductor layer to the x direction on the basis of the 1-type stacking
The 3-type stacking is to move the beta-SnSe two-dimensional semiconductor layer to the y direction on the basis of the 1-type stacking
The 4-type stacking is to stack the beta-SnSe two-dimensional semiconductor layer on the basis of the 1-type stackingMove in the x direction
Move in y direction +.>
2. The heterojunction material of claim 1, wherein: the thickness of the vacuum layer is
3. Use of the heterojunction material of any one of claims 1-2 in photocatalytic hydrolysis hydrogen evolution.
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