Method and device for determining preparation conditions of two-dimensional material, equipment and medium

Abstract

The invention discloses a two-dimensional material preparation condition determination method and device, equipment and a medium, and is applied to the field of two-dimensional material preparation. The determination method comprises the following steps: acquiring target characteristic parameters of a target doped two-dimensional material, and constructing a target material model according to the target doped two-dimensional material; determining an initial irradiation condition and a simulation characteristic parameter corresponding to the target material model based on preset ion irradiation simulation software; when the simulation characteristic parameter is the same as the target characteristic parameter, taking the initial irradiation condition as a target preparation condition of the target doped two-dimensional material; and when the simulation characteristic parameter is different from the target characteristic parameter, modifying the initial irradiation condition based on a difference irradiation condition corresponding to the difference until the simulation characteristic parameter corresponding to the modified irradiation condition is the same as the target characteristic parameter, and taking the modified irradiation condition as a target preparation condition. Therefore, the method provided by the invention can assist in determining ion irradiation conditions set by experimental simulation, and high-quality preparation of the material is realized.

Description

Technical Field

[0001] The present application relates to the field of two-dimensional material preparation, and in particular to a method, device, equipment and medium for determining the preparation conditions of two-dimensional materials. Background Art

[0002] Two-dimensional materials are a general term for materials whose characteristic scale in a certain dimension is at the nanometer level. By doping two-dimensional materials, the electrical properties of the materials can be controlled, thereby realizing the manufacture of PN junctions. Ion irradiation is an effective method to achieve doping of two-dimensional materials.

[0003] However, the cost of implementing ion irradiation experiments on two-dimensional materials is relatively high, and obtaining ideal experimental conditions through computational simulation is a very efficient auxiliary means. Therefore, in the actual material preparation process, it is necessary to explore suitable irradiation conditions for specific target materials (with specific physical and chemical properties, specific doping concentration and structure) in order to prepare high-quality materials.

[0004] At present, the ion irradiation simulation software for two-dimensional materials (I2DMatter) is usually used to simulate the irradiation of two-dimensional materials with specific doping concentrations. I2DM can simulate the formation and evolution of defects in the target material according to the set irradiation conditions (including incident ion type, incident ion energy, incident angle, irradiation intensity, and irradiation time), and statistically analyze the defect results in the target material after irradiation. The simulation effect is optimized by continuously modifying the irradiation conditions, but when there are many parameters in the irradiation conditions, it is impossible to determine which type of parameters in the irradiation conditions to modify and the extent of the modification. Therefore, a large number of trial and error experiments are required in the entire simulation process, which increases costs.

[0005] In view of the above-mentioned technologies, finding a method to determine the preparation conditions of two-dimensional materials is an urgent problem to be solved by technicians in this field. Summary of the invention

[0006] The purpose of this application is to provide a method, device, equipment and medium for determining the preparation conditions of two-dimensional materials, which can solve the cost problem caused by modifying simulation parameters to achieve the best simulation effect in the prior art.

[0007] In order to solve the above technical problems, on the one hand, the present application provides a method for determining the preparation conditions of a two-dimensional material, comprising:

[0008] Acquire target characteristic parameters of the target doped two-dimensional material, and construct a target material model according to the target doped two-dimensional material;

[0009] Determine the initial irradiation conditions and the simulation characteristic parameters corresponding to the target material model based on the preset ion irradiation simulation software;

[0010] When the simulated characteristic parameters are the same as the target characteristic parameters, the initial irradiation conditions are used as the target preparation conditions of the target doped two-dimensional material;

[0011] When the simulated characteristic parameters are different from the target characteristic parameters, the initial irradiation conditions are modified based on the difference irradiation conditions corresponding to the differences until the simulated characteristic parameters corresponding to the modified irradiation conditions are the same as the target characteristic parameters, and the modified irradiation conditions are used as the target preparation conditions.

[0012] Preferably, it also includes:

[0013] Repeating the steps of determining the initial irradiation conditions and the simulation characteristic parameters corresponding to the target material model based on the preset ion irradiation simulation software to obtain multiple sets of simulation characteristic parameters;

[0014] Determine the initial preparation conditions of the corresponding target doped two-dimensional material based on multiple sets of simulation characteristic parameters;

[0015] The average preparation condition among the multiple groups of initial preparation conditions is obtained, and the average preparation condition is used as the target preparation condition.

[0016] Preferably, it also includes:

[0017] When the simulation characteristic parameters are the same as the target characteristic parameters, the corresponding relationship between the initial irradiation conditions and the target characteristic parameters is determined;

[0018] A relationship curve is drawn based on the corresponding relationship between the initial irradiation conditions and the target characteristic parameters, so as to determine the magnitude of modifying the initial irradiation conditions according to the relationship curve.

[0019] Preferably, the target characteristic parameters include: target characteristic parameters and target doping and space parameters;

[0020] Among them, the target characteristic parameters include: target doping concentration and target vacancy defect concentration; the target doping and space parameters include: target vacancy defect generation capability parameter, target substitutional doping capability parameter and target interstitial doping capability parameter;

[0021] Accordingly, the simulation characteristic parameters include: simulation characteristic parameters and simulation doping and space parameters;

[0022] Among them, the simulated characteristic parameters include: simulated doping concentration and simulated vacancy defect concentration; the simulated doping and space parameters include: simulated vacancy defect generation ability parameters, simulated substitutional doping ability parameters and simulated interstitial doping ability parameters.

[0023] Preferably, the initial irradiation conditions include: variable irradiation conditions and non-variable irradiation conditions;

[0024] Among them, variable irradiation conditions include: initial irradiation time and initial incident ion energy;

[0025] The non-variable irradiation conditions include: initial ion species, initial irradiation angle and initial irradiation intensity.

[0026] Preferably, when the simulated characteristic parameter is different from the target characteristic parameter, the initial irradiation condition is modified based on the difference irradiation condition corresponding to the difference, including:

[0027] If the simulated vacancy defect generation capability parameters, simulated substitutional doping capability parameters and simulated interstitial doping capability parameters are all different from the corresponding target vacancy defect generation capability parameters, target substitutional doping capability parameters and target interstitial doping capability parameters, the initial incident ion energy is modified based on the difference in incident ion energy corresponding to the difference.

[0028] Preferably, when the simulated characteristic parameter is different from the target characteristic parameter, the initial irradiation condition is modified based on the difference irradiation condition corresponding to the difference, including:

[0029] If the simulated doping concentration and the simulated vacancy defect concentration are different from the corresponding target doping concentration and the target vacancy defect concentration, the initial irradiation time is modified based on the difference irradiation time corresponding to the difference.

[0030] On the other hand, the present application also provides a device for determining the preparation conditions of a two-dimensional material, comprising:

[0031] An acquisition module, used to acquire target characteristic parameters of a target doped two-dimensional material and construct a target material model according to the target doped two-dimensional material;

[0032] A determination module, used to determine the initial irradiation conditions and the simulation characteristic parameters corresponding to the target material model based on the preset ion irradiation simulation software;

[0033] A first preparation condition determination module, configured to use the initial irradiation conditions as target preparation conditions for the target doped two-dimensional material when the simulation characteristic parameters are the same as the target characteristic parameters;

[0034] The second preparation condition determination module is used to modify the initial irradiation conditions based on the difference irradiation conditions corresponding to the difference when the simulation characteristic parameters are different from the target characteristic parameters, until the simulation characteristic parameters corresponding to the modified irradiation conditions are the same as the target characteristic parameters, and use the modified irradiation conditions as the target preparation conditions.

[0035] On the other hand, the present application also provides an electronic device, comprising a memory for storing a computer program;

[0036] A processor is used to implement the steps of the above-mentioned method for determining the preparation conditions of two-dimensional materials when executing a computer program.

[0037] On the other hand, the present application also provides a computer-readable storage medium, on which a computer program is stored, and when the computer program is executed by a processor, the steps of the method for determining the preparation conditions of the two-dimensional material are implemented.

[0038] The present application provides a method for determining the preparation conditions of a two-dimensional material, including: obtaining target characteristic parameters of a target doped two-dimensional material, and constructing a target material model according to the target doped two-dimensional material; determining the initial irradiation conditions and the simulation characteristic parameters corresponding to the target material model based on the preset ion irradiation simulation software; when the simulation characteristic parameters are the same as the target characteristic parameters, the initial irradiation conditions are used as the target preparation conditions of the target doped two-dimensional material; when the simulation characteristic parameters are different from the target characteristic parameters, the initial irradiation conditions are modified based on the difference irradiation conditions corresponding to the difference, until the simulation characteristic parameters corresponding to the modified irradiation conditions are the same as the target characteristic parameters, and the modified irradiation conditions are used as the target preparation conditions. The present application correctly considers the target material model corresponding to the target doped two-dimensional material through the preset ion irradiation simulation software, thereby improving the prediction accuracy of the subsequent simulation process. At the same time, the present application determines the irradiation conditions that need to be adjusted according to the difference between the simulation characteristic parameters and the target characteristic parameters, thereby greatly reducing the cost problems caused by a large number of simulation experiments. It can be seen that the method provided by the present application can assist in determining the conditions of ion irradiation set by the experimental simulation and achieve high-quality preparation of materials. BRIEF DESCRIPTION OF THE DRAWINGS

[0039] In order to more clearly illustrate the embodiments of the present application, the following is a brief introduction to the drawings required for use in the embodiments. Obviously, the drawings described below are only some embodiments of the present application. For ordinary technicians in this field, other drawings can be obtained based on these drawings without paying any creative work.

[0040] Figure 1 A flow chart of a method for determining preparation conditions of a two-dimensional material provided in an embodiment of the present application;

[0041] Figure 2 A schematic diagram of the relationship between the capability parameter and the incident ion energy provided in the embodiment of the present application;

[0042] Figure 3 A schematic diagram of the relationship between concentration parameters and irradiation time provided in the embodiments of the present application;

[0043] Figure 4 A module diagram of a device for determining two-dimensional material preparation conditions provided in an embodiment of the present application;

[0044] Figure 5 A structural diagram of an electronic device provided in another embodiment of the present application. DETAILED DESCRIPTION

[0045] The following will be combined with the drawings in the embodiments of the present application to clearly and completely describe the technical solutions in the embodiments of the present application. Obviously, the described embodiments are only part of the embodiments of the present application, not all of the embodiments. Based on the embodiments in the present application, all other embodiments obtained by ordinary technicians in this field without creative work are within the scope of protection of this application.

[0046] The core of this application is to provide a method, device, equipment and medium for determining the preparation conditions of two-dimensional materials.

[0047] In order to enable those skilled in the art to better understand the present application, the present application is further described in detail below in conjunction with the accompanying drawings and specific implementation methods.

[0048] Figure 1 A flow chart of a method for determining the preparation conditions of a two-dimensional material provided in an embodiment of the present application, as shown in the figure, includes the following steps:

[0049] S10: Obtain target characteristic parameters of the target doped two-dimensional material, and construct a target material model according to the target doped two-dimensional material.

[0050] In a specific embodiment, the target doped two-dimensional material is the material to be finally prepared, and its main preparation process is relatively cumbersome. Therefore, before preparing the target doped two-dimensional material, a simulation experiment is required. Since the main reason for finally determining whether the experimental results meet expectations is to compare the simulation characteristic parameters and the target characteristic parameters in the experimental results, it is necessary to obtain the target characteristic parameters corresponding to the target doped two-dimensional material before simulation. At the same time, since the present application is about the preparation method of two-dimensional materials, it is necessary to fully consider the structure corresponding to the target doped two-dimensional material during the simulation experiment. Therefore, before simulation, it is necessary to construct a target material model corresponding to the target doped two-dimensional material to improve the final simulation accuracy.

[0051] S11: Determine the initial irradiation conditions and the simulation characteristic parameters corresponding to the target material model based on the preset ion irradiation simulation software.

[0052] In a specific embodiment, during the experimental simulation of the target doped two-dimensional material, it is necessary to preset a set of initial irradiation conditions as the conditions for the first simulation, and then use the preset ion irradiation simulation software to simulate the target doped two-dimensional material under the currently set initial irradiation conditions and the target material model corresponding to the target doped two-dimensional material. After the simulation is completed, the simulation characteristic parameters corresponding to the current simulation situation are obtained.

[0053] Among them, the preset ion irradiation simulation software is an ion irradiation simulation software for two-dimensional materials, which can simulate the ion irradiation effect of two-dimensional materials and give the statistical results of ion irradiation. Specifically, the preset ion irradiation simulation software can simulate the formation and evolution process of defects in the target material model according to the set initial irradiation conditions (including incident ion type, incident ion energy, incident angle, irradiation intensity, irradiation time, etc.), and statistically calculate the defect results in the target material after irradiation. As a preferred option, I2DM can be selected.

[0054] S12: When the simulation characteristic parameters are the same as the target characteristic parameters, the initial irradiation conditions are used as the target preparation conditions for the target doped two-dimensional material.

[0055] S13: When the simulation characteristic parameters are different from the target characteristic parameters, the initial irradiation conditions are modified based on the difference irradiation conditions corresponding to the differences, until the simulation characteristic parameters corresponding to the modified irradiation conditions are the same as the target characteristic parameters, and the modified irradiation conditions are used as the target preparation conditions.

[0056] In a specific embodiment, since the final simulation effect is determined based on the comparison between the simulation characteristic parameters and the target characteristic parameters, when the simulation characteristic parameters are the same as the target characteristic parameters, it means that in the current simulation process, the simulation results obtained by simulating according to the initial irradiation conditions initially set are in line with expectations, that is, the current simulation results can obtain the final target doped two-dimensional material. Therefore, in actual preparation, the initial irradiation conditions are used as the target preparation conditions for the target doped two-dimensional material.

[0057] When the simulation characteristic parameters are different from the target characteristic parameters, it means that the current simulation results do not meet expectations, that is, the target doped two-dimensional material cannot be obtained under the current initial irradiation conditions, so the initial irradiation conditions need to be modified. Since there are many types of initial irradiation conditions, when the simulation results do not meet expectations, it is impossible to determine which irradiation condition to modify to make the simulation results meet expectations. Therefore, when the simulation characteristic parameters are different from the target characteristic parameters, the differences that cause the two sets of data to be different are determined, as well as the differential irradiation conditions related to the differences. Then, the initial irradiation conditions are modified according to the differential irradiation conditions, and the simulation process is repeated after modification until the simulation characteristic parameters are the same as the target characteristic parameters. At this time, the modified irradiation conditions currently being simulated are used as the target preparation conditions for the target doped two-dimensional material.

[0058] The present application provides a method for determining the preparation conditions of a two-dimensional material, including: obtaining target characteristic parameters of a target doped two-dimensional material, and constructing a target material model according to the target doped two-dimensional material; determining the initial irradiation conditions and the simulation characteristic parameters corresponding to the target material model based on the preset ion irradiation simulation software; when the simulation characteristic parameters are the same as the target characteristic parameters, the initial irradiation conditions are used as the target preparation conditions of the target doped two-dimensional material; when the simulation characteristic parameters are different from the target characteristic parameters, the initial irradiation conditions are modified based on the difference irradiation conditions corresponding to the difference, until the simulation characteristic parameters corresponding to the modified irradiation conditions are the same as the target characteristic parameters, and the modified irradiation conditions are used as the target preparation conditions. The present application correctly considers the target material model corresponding to the target doped two-dimensional material through the preset ion irradiation simulation software, thereby improving the prediction accuracy of the subsequent simulation process. At the same time, the present application determines the irradiation conditions that need to be adjusted according to the difference between the simulation characteristic parameters and the target characteristic parameters, thereby greatly reducing the cost problems caused by a large number of simulation experiments. It can be seen that the method provided by the present application can assist in determining the conditions of ion irradiation set by the experimental simulation and achieve high-quality preparation of materials.

[0059] On the basis of the above-mentioned embodiment, since the result obtained from a simulation is random, the method for determining the preparation conditions of the two-dimensional material also includes: repeating the steps of determining the initial irradiation conditions and the simulation characteristic parameters corresponding to the target material model based on the preset ion irradiation simulation software to obtain multiple sets of simulation characteristic parameters; determining the corresponding initial preparation conditions while obtaining the multiple sets of simulation characteristic parameters; then obtaining the average value of the multiple sets of initial preparation conditions (that is, the average preparation condition), and finally taking the average preparation condition as the target preparation condition.

[0060] Among them, when obtaining the average preparation condition from multiple groups of initial preparation conditions, the initial preparation conditions with obvious abnormalities may be eliminated first and then the average preparation condition may be obtained.

[0061] In the above embodiment, since the specific conditions for modifying the initial irradiation conditions are determined in the above steps, but the extent of the modification is not determined, the correspondence between the initial irradiation conditions and the target characteristic parameters can be determined in a complete simulation experiment, and when the simulation characteristic parameters are the same as the target characteristic parameters, and then a relationship curve is drawn based on the correspondence between the initial irradiation conditions and the target characteristic parameters, so that subsequent operators can determine the extent of modifying the initial irradiation conditions based on the relationship curve.

[0062] The present application provides a method for obtaining target preparation conditions, which suppresses the disturbance caused by a simulation experiment and improves the accuracy of the computational simulation. At the same time, a method for determining the modification amplitude is proposed in the method, which further reduces the simulation cost problem caused by the simulation process of the target doped two-dimensional material.

[0063] In the above embodiment, as a preferred embodiment, the target characteristic parameters include: target characteristic parameters and target doping and space parameters; wherein the target characteristic parameters include: target doping concentration and target vacancy defect concentration; the target doping and space parameters include: target vacancy defect generation capability parameter, target substitutional doping capability parameter and target interstitial doping capability parameter;

[0064] Correspondingly, the simulated characteristic parameters include: simulated characteristic parameters and simulated doping and space parameters; wherein, the simulated characteristic parameters include: simulated doping concentration and simulated vacancy defect concentration; the simulated doping and space parameters include: simulated vacancy defect generation ability parameters, simulated substitutional doping ability parameters and simulated interstitial doping ability parameters.

[0065] In a specific embodiment, the doping concentration (target doping concentration and simulated doping concentration) refers to the number of atoms of elements that are different from the elements constituting the target material in a unit area of ​​the two-dimensional material; the vacancy defect concentration (vacancy defect concentration and simulated vacancy defect concentration) refers to the number of vacancy defects in a unit area of ​​the two-dimensional material; the substitutional doping capability parameter (target substitutional doping capability parameter and simulated substitutional doping capability parameter) is the probability of an irradiated ion replacing a target atom after being incident on the target material; the interstitial doping capability parameter (target interstitial doping capability parameter and simulated interstitial doping capability parameter) refers to the probability of an irradiated ion staying in the interstices between target atoms after being incident on the target material; the vacancy defect generation capability parameter (target vacancy defect generation capability parameter and simulated vacancy defect generation capability parameter) refers to the probability of a single vacancy defect being generated after an irradiated ion is incident on the target material. In addition, the doping and space parameters can also include: impurity generation capability parameter, which is the probability that an irradiated ion will stay in the target material (replacing target atoms or staying in the gaps between target atoms) after entering the target material. The impurity generation capability parameter = substitutional doping capability parameter + gap doping capability parameter.

[0066] The initial irradiation conditions include: variable irradiation conditions and non-variable irradiation conditions; wherein, the variable irradiation conditions include: initial irradiation time and initial incident ion energy; the non-variable irradiation conditions include: initial ion type, initial irradiation angle and initial irradiation intensity.

[0067] In a specific embodiment, the initial irradiation angle refers to the angle between the direction of motion of the incident ions and the normal of the plane of the two-dimensional target material; the initial irradiation intensity refers to the number of incident ions arriving at a unit area of ​​the target material per unit time; the initial irradiation time refers to the duration of the irradiation process maintaining the initial irradiation intensity I; the initial incident ion energy refers to the kinetic energy carried by the incident ions.

[0068] It should be noted that since the initial ion type, initial irradiation angle and initial irradiation intensity are related to the placement of the experimental instrument, and the initial ion type, initial irradiation angle and initial irradiation intensity are generally not modified during the simulation, this application defines them as non-variable irradiation conditions, and the initial irradiation time and initial incident ion energy are defined as variable irradiation conditions.

[0069] After defining the target characteristic parameters, simulation characteristic parameters and initial irradiation conditions, when the simulation characteristic parameters are different from the target characteristic parameters, the initial irradiation conditions are modified based on the difference irradiation conditions corresponding to the difference, specifically including:

[0070] If the simulated vacancy defect generation capability parameter, simulated substitutional doping capability parameter and simulated interstitial doping capability parameter are different from the corresponding target vacancy defect generation capability parameter, target substitutional doping capability parameter and target interstitial doping capability parameter, and the doping and space parameters are related to the initial incident ion energy in the initial irradiation conditions, the initial incident ion energy is modified at this time, and the other parameters are kept unchanged, and the simulation is repeated. The specific modification range is: the initial incident ion energy is increased by 1eV.

[0071] If the simulated doping concentration and simulated vacancy defect concentration are different from the corresponding target doping concentration and target vacancy defect concentration, and the characteristic parameters are related to the initial irradiation time in the initial irradiation conditions, the initial irradiation time is modified at this time, and the other parameters are kept unchanged and the simulation is repeated. The specific modification range is: the initial irradiation time is increased by 200s.

[0072] Among them, it should be noted that the present application provides two schemes for modifying the initial irradiation conditions based on the difference irradiation conditions corresponding to the differences when the simulation characteristic parameters are different from the target characteristic parameters, but the two schemes can exist simultaneously in the method for determining the preparation conditions of two-dimensional materials, and their specific step processes are not in order.

[0073] In summary, taking the target doped two-dimensional material as graphene with a boron doping ratio of 10% as an example, the method for determining the complete two-dimensional material preparation conditions includes the following steps:

[0074] Step 1: The target doped 2D material is graphene with a boron doping ratio of 10%, and the corresponding target doping concentration is determined , target vacancy defect concentration , Target vacancy defect generation capability parameters , Target substitutional doping capability parameters , Target gap doping capability parameters and target impurity generation capability parameters , and build a graphene target model.

[0075] Step 2: Set the initial irradiation time to 200s; the initial incident ion energy to 40eV; the initial ion type to boron ions; and the initial irradiation angle to , the initial irradiance is set to .

[0076] Step 3: Based on the set initial irradiation conditions, use I2DM software to perform irradiation simulation to obtain the simulated doping concentration corresponding to the simulation result at this time , simulated vacancy defect concentration , Simulation vacancy defect generation capability parameters , Simulation substitutional doping capability parameters , Simulation gap doping capability parameters and simulated impurity generation capability parameters .

[0077] Step 4: Determine the parameters of the simulated vacancy defect generation capability , Simulation substitutional doping capability parameters , Simulation gap doping capability parameters The corresponding target vacancy defect generation capability parameter , Target substitutional doping capability parameters , Target gap doping capability parameters Are they the same? If so, then the vacancy defect generation capacity parameters are counted. , substitutional doping capability parameters , interstitial doping capability parameters and impurity generation capacity parameters If the relationship between the initial incident ion energy and the incident ion energy is not found, the next step is performed. If not, the initial incident ion energy is increased by 1 eV, and other parameters are kept unchanged, and the simulation is returned to step 3. Figure 2 A schematic diagram of the relationship between the capability parameters and the incident ion energy provided in the embodiments of the present application.

[0078] Step 5: Determine the simulated doping concentration and simulated vacancy defect concentration The corresponding target doping concentration and the target vacancy defect concentration Are they the same? If so, then calculate the doping concentration and vacancy defect concentration If not, increase the initial irradiation time by 200s, keep other parameters unchanged, and return to step 3 for simulation. Figure 3 A schematic diagram of the relationship between concentration parameters and irradiation time provided in an embodiment of the present application.

[0079] Among them, when simulating the relationship between characteristic parameters and incident ion energy and the relationship between concentration parameters and irradiation time in steps 4 and 5, in order to suppress the disturbance caused by random processes and improve the accuracy of calculation simulation, it is necessary to repeat the simulation many times and then average the calculated results.

[0080] Among them, in the simulation experiment of the target doped two-dimensional material being graphene with a boron doping ratio of 10%, the final preparation conditions determined were: the irradiation angle was ; The incident ion energy is 77eV, and the irradiation intensity is ; The irradiation time is 2200s.

[0081] It should be noted that the embodiment provided in this application is only one possible implementation method, but is not limited to only this implementation method and can be set according to the needs of the user.

[0082] It can be seen that the method for determining the preparation conditions of two-dimensional materials provided in this application has the following advantages:

[0083] 1. This application uses preset ion irradiation simulation software to correctly consider the atomic structure characteristics of two-dimensional materials, thereby achieving higher prediction accuracy.

[0084] 2. This application considers vacancy defects, substitutional doping and interstitial doping respectively, predicts appropriate irradiation conditions, and assists experiments to achieve precise control of substitutional doping and interstitial doping.

[0085] 3. This application adjusts the incident ion energy and irradiation time to achieve a specific doping concentration while effectively controlling the vacancy defect concentration, thereby assisting actual experiments in setting ion irradiation conditions and achieving high-quality material preparation.

[0086] In the above embodiments, the method for determining the preparation conditions of two-dimensional materials is described in detail, and the present application also provides embodiments corresponding to the device for determining the preparation conditions of two-dimensional materials. It should be noted that the present application describes the embodiments of the device part from two perspectives, one is based on the perspective of functional modules, and the other is based on the perspective of hardware.

[0087] Figure 4 The module diagram of the device for determining the preparation conditions of the two-dimensional material provided in the embodiment of the present application, as shown in the figure, includes:

[0088] An acquisition module 11 is used to acquire target characteristic parameters of a target doped two-dimensional material and construct a target material model according to the target doped two-dimensional material;

[0089] A determination module 12, used to determine the initial irradiation conditions and the simulation characteristic parameters corresponding to the target material model based on the preset ion irradiation simulation software;

[0090] A first preparation condition determination module 13, configured to use the initial irradiation conditions as target preparation conditions for the target doped two-dimensional material when the simulation characteristic parameters are the same as the target characteristic parameters;

[0091] The second preparation condition determination module 14 is used to modify the initial irradiation conditions based on the difference irradiation conditions corresponding to the differences when the simulation characteristic parameters are different from the target characteristic parameters, until the simulation characteristic parameters corresponding to the modified irradiation conditions are the same as the target characteristic parameters, and use the modified irradiation conditions as the target preparation conditions.

[0092] Since the embodiments of the apparatus part correspond to the embodiments of the method part, please refer to the description of the embodiments of the method part for the embodiments of the apparatus part, which will not be repeated here.

[0093] Figure 5 A structural diagram of an electronic device provided in another embodiment of the present application, such as Figure 5 As shown, the electronic device includes: a memory 20 for storing a computer program;

[0094] The processor 21 is used to implement the steps of the method for determining the preparation conditions of the two-dimensional material as mentioned in the above embodiment when executing the computer program.

[0095] The electronic device provided in this embodiment may include but is not limited to a smart phone, a tablet computer, a laptop computer or a desktop computer.

[0096] Among them, the processor 21 may include one or more processing cores, such as a 4-core processor, an 8-core processor, etc. The processor 21 can be implemented in at least one hardware form of a digital signal processor (DSP), a field-programmable gate array (FPGA), and a programmable logic array (PLA). The processor 21 may also include a main processor and a coprocessor. The main processor is a processor for processing data in the awake state, also known as a central processing unit (CPU); the coprocessor is a low-power processor for processing data in the standby state. In some embodiments, the processor 21 may be integrated with a graphics processing unit (GPU), which is responsible for rendering and drawing the content to be displayed on the display screen. In some embodiments, the processor 21 may also include an artificial intelligence (AI) processor, which is used to process computing operations related to machine learning.

[0097] The memory 20 may include one or more computer-readable storage media, which may be non-transitory. The memory 20 may also include a high-speed random access memory, and a non-volatile memory, such as one or more disk storage devices, flash memory storage devices. In this embodiment, the memory 20 is at least used to store the following computer program 201, wherein, after the computer program is loaded and executed by the processor 21, it can implement the relevant steps of the method for determining the preparation conditions of the two-dimensional material disclosed in any of the aforementioned embodiments. In addition, the resources stored in the memory 20 may also include an operating system 202 and data 203, etc., and the storage method may be short-term storage or permanent storage. Among them, the operating system 202 may include Windows, Unix, Linux, etc.

[0098] In some embodiments, the electronic device may further include a display screen 22 , an input / output interface 23 , a communication interface 24 , a power source 25 , and a communication bus 26 .

[0099] Those skilled in the art will understand that Figure 5 The structure shown in the figure does not constitute a limitation on the electronic device, and may include more or fewer components than shown in the figure.

[0100] The electronic device provided in an embodiment of the present application includes a memory and a processor. When the processor executes the program stored in the memory, it can implement the above-mentioned method for determining the preparation conditions of two-dimensional materials and has the same beneficial effects.

[0101] Finally, the present application also provides an embodiment corresponding to a computer-readable storage medium. The computer-readable storage medium stores a computer program, and when the computer program is executed by a processor, the steps recorded in the above method embodiment are implemented.

[0102] It is understandable that if the method in the above embodiment is implemented in the form of a software functional unit and sold or used as an independent product, it can be stored in a computer-readable storage medium. Based on this understanding, the technical solution of the present application is essentially or the part that contributes to the prior art or all or part of the technical solution can be embodied in the form of a software product, and the computer software product is stored in a storage medium to execute all or part of the steps of the method described in each embodiment of the present application. The aforementioned storage medium includes: U disk, mobile hard disk, read-only memory (ROM), random access memory (RAM), disk or optical disk and other media that can store program code.

[0103] The above is a detailed introduction to the method, device, equipment and medium for determining the preparation conditions of a two-dimensional material provided by the present application. The various embodiments in the specification are described in a progressive manner, and each embodiment focuses on the differences from other embodiments. The same and similar parts between the embodiments can be referenced to each other. For the device disclosed in the embodiment, since it corresponds to the method disclosed in the embodiment, the description is relatively simple, and the relevant parts can be referred to the method part description. It should be pointed out that for ordinary technicians in this technical field, without departing from the principles of the present application, several improvements and modifications can be made to the present application, and these improvements and modifications also fall within the scope of protection of the claims of the present application.

[0104] It should also be noted that, in this specification, relational terms such as first and second, etc. are only used to distinguish one entity or operation from another entity or operation, and do not necessarily require or imply any such actual relationship or order between these entities or operations. Moreover, the terms "comprise", "include" or any other variants thereof are intended to cover non-exclusive inclusion, so that a process, method, article or device including a series of elements includes not only those elements, but also other elements not explicitly listed, or also includes elements inherent to such process, method, article or device. In the absence of further restrictions, an element defined by the statement "comprises a ..." does not exclude the presence of other identical elements in the process, method, article or device including the element.

Claims

1. A method for determining preparation conditions of a two-dimensional material, characterized in that: include: Acquiring target characteristic parameters of a target doped two-dimensional material, and constructing a target material model according to the target doped two-dimensional material; Determining initial irradiation conditions and simulation characteristic parameters corresponding to the target material model based on preset ion irradiation simulation software; When the simulation characteristic parameter is the same as the target characteristic parameter, the initial irradiation condition is used as the target preparation condition of the target doped two-dimensional material; When the simulation characteristic parameters are different from the target characteristic parameters, the initial irradiation conditions are modified based on the difference irradiation conditions corresponding to the differences until the simulation characteristic parameters corresponding to the modified irradiation conditions are the same as the target characteristic parameters, and the modified irradiation conditions are used as the target preparation conditions.

2. The method for determining the preparation conditions of two-dimensional materials according to claim 1, characterized in that: Also includes: Repeating the step of determining the initial irradiation conditions and the simulation characteristic parameters corresponding to the target material model based on the preset ion irradiation simulation software to obtain multiple groups of the simulation characteristic parameters; Determining the initial preparation conditions of the corresponding target doped two-dimensional material based on the multiple sets of simulation characteristic parameters; The average preparation condition among the multiple groups of the initial preparation conditions is obtained, and the average preparation condition is used as the target preparation condition.

3. The method for determining the preparation conditions of two-dimensional materials according to claim 2, characterized in that: Also includes: When the simulation characteristic parameter is the same as the target characteristic parameter, determining a corresponding relationship between the initial irradiation condition and the target characteristic parameter; A relationship curve is drawn based on the corresponding relationship between the initial irradiation condition and the target characteristic parameter, so as to determine the magnitude of modifying the initial irradiation condition according to the relationship curve.

4. The method for determining the preparation conditions of a two-dimensional material according to any one of claims 1 to 3, characterized in that: The target characteristic parameters include: target characteristic parameters and target doping and space parameters; Wherein, the target characteristic parameters include: target doping concentration and target vacancy defect concentration; the target doping and space parameters include: target vacancy defect generation capability parameter, target substitutional doping capability parameter and target interstitial doping capability parameter; Accordingly, the simulation characteristic parameters include: simulation characteristic parameters and simulation doping and space parameters; Among them, the simulated characteristic parameters include: simulated doping concentration and simulated vacancy defect concentration; the simulated doping and space parameters include: simulated vacancy defect generation ability parameter, simulated substitutional doping ability parameter and simulated interstitial doping ability parameter.

5. The method for determining the preparation conditions of two-dimensional materials according to claim 4, characterized in that: The initial irradiation conditions include: variable irradiation conditions and non-variable irradiation conditions; Wherein, the variable irradiation conditions include: initial irradiation time and initial incident ion energy; The non-variable irradiation conditions include: initial ion species, initial irradiation angle and initial irradiation intensity.

6. The method for determining the preparation conditions of two-dimensional materials according to claim 5, characterized in that: When the simulation characteristic parameter is different from the target characteristic parameter, the initial irradiation condition is modified based on the difference irradiation condition corresponding to the difference, including: If the simulated vacancy defect generation capability parameter, the simulated substitutional doping capability parameter and the simulated gap doping capability parameter are all different from the corresponding target vacancy defect generation capability parameter, the target substitutional doping capability parameter and the target gap doping capability parameter, the initial incident ion energy is modified based on the difference in incident ion energy corresponding to the difference.

7. The method for determining the preparation conditions of two-dimensional materials according to claim 5, characterized in that: When the simulation characteristic parameter is different from the target characteristic parameter, the initial irradiation condition is modified based on the difference irradiation condition corresponding to the difference, including: If the simulated doping concentration and the simulated vacancy defect concentration are different from the corresponding target doping concentration and the target vacancy defect concentration, the initial irradiation time is modified based on the difference irradiation time corresponding to the difference.

8. A device for determining preparation conditions of two-dimensional materials, characterized in that: include: An acquisition module, used to acquire target characteristic parameters of a target doped two-dimensional material, and construct a target material model according to the target doped two-dimensional material; A determination module, used to determine the initial irradiation conditions and the simulation characteristic parameters corresponding to the target material model based on preset ion irradiation simulation software; a first preparation condition determination module, configured to use the initial irradiation condition as a target preparation condition for the target doped two-dimensional material when the simulation characteristic parameter is the same as the target characteristic parameter; The second preparation condition determination module is used to modify the initial irradiation condition based on the difference irradiation condition corresponding to the difference when the simulation characteristic parameter is different from the target characteristic parameter, until the simulation characteristic parameter corresponding to the modified irradiation condition is the same as the target characteristic parameter, and use the modified irradiation condition as the target preparation condition.

9. An electronic device, characterized in that: comprising a memory for storing a computer program; A processor, used to implement the steps of the method for determining the preparation conditions of the two-dimensional material as described in any one of claims 1 to 7 when executing the computer program.

10. A computer-readable storage medium, characterized in that: The computer-readable storage medium stores a computer program, which, when executed by a processor, implements the steps of the method for determining the two-dimensional material preparation conditions as described in any one of claims 1 to 7.

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