Method for evaluating electrical properties of metal / polymer interface and related equipment

Abstract

The invention relates to the crossing field of electric power and material science, and discloses a metal / polymer interface electrical property evaluation method and related equipment, and the method comprises the following steps: respectively constructing a polymer molecule model and a metal crystal face model; combining the vacuum layer of the metal crystal face model with the polymer molecule model to construct a metal / polymer interface model; performing optimization processing on the metal / polymer interface model to obtain a charge injection barrier and a charge density difference; and setting a reference value, comparing the charge injection barrier and the charge density difference with the reference value to obtain a comparison result, and evaluating according to the comparison result to obtain the charge transfer characteristic and the charge distribution state of the metal / polymer interface. By optimizing the metal / polymer interface model, the charge injection potential barrier and the charge density difference can be obtained. The two parameters jointly reflect the transmission characteristics and the distribution state of charges at the interface, and a reliable basis is provided for comprehensively evaluating the electrical properties of the metal / polymer interface.

Description

Technical Field

[0001] The present invention relates to the intersecting field of electricity and material science, and in particular to a method for evaluating the electrical performance of a metal / polymer interface and related equipment. Background Art

[0002] With the rapid development of high-voltage direct current (HVDC) technology, especially its increasing application in the fields of ultra-high voltage and ultra-long-distance transmission, higher requirements are placed on the safety, reliability and performance optimization of transmission equipment. As a representative of the new generation of transmission technology, DC gas-insulated switchgear (GIS) / gas-insulated transmission pipeline (GIL) has shown great potential in scenarios such as crossing complex terrain, underwater transmission and urban power grid transformation due to its compact structure, superior insulation performance and strong environmental adaptability. However, the electrical properties of the interface composed of metal and polymer materials in GIS / GIL directly affect the insulation strength and long-term operation stability of the entire system. Traditional evaluation methods are often based on experimental tests, which make it difficult to deeply reveal the microscopic processes such as charge distribution, migration and injection mechanism at the interface, limiting further exploration of performance optimization. Summary of the invention

[0003] In order to overcome the defects of the above-mentioned prior art, the purpose of the present invention is to provide a method for evaluating the electrical properties of a metal / polymer interface and related equipment to solve the technical problem of how to improve the accuracy of evaluating the electrical properties of a metal / polymer interface in the prior art.

[0004] The present invention is achieved through the following technical solutions: In a first aspect, the present invention provides a method for evaluating the electrical properties of a metal / polymer interface, comprising: Construct polymer molecular models and metal crystal surface models respectively; The metal / polymer interface model is constructed by combining the vacuum layer of the metal crystal surface model with the polymer molecular model; The charge injection barrier and charge density difference are obtained by optimizing the metal / polymer interface model; A reference value is set, and the charge injection barrier and the charge density difference are compared with the reference value to obtain a comparison result. The charge transfer characteristics and the charge distribution state of the metal / polymer interface are evaluated based on the comparison result.

[0005] Preferably, in the step of constructing the polymer molecular model, the specific process is as follows: Obtain the monomer structure information of the polymer based on the polymer molecular chemical formula and draw the molecular structure of the monomer; Determine the type of polymerization reaction according to the molecular structure of the monomer, connect the monomer structure to form a polymer chain, and set the number of repeating units of the polymer according to the chain length information of the polymer chain; The polymer structure is optimized to achieve a stable conformation with the lowest energy, wherein the optimization operation includes an optimization step size and a convergence criterion.

[0006] Preferably, in the step of constructing the metal crystal surface model, the specific process is as follows: The metal crystal surface is cut into crystal cells, and the cells are expanded to form supercells according to the size of the polymer molecular model expected to be placed, and a vacuum layer is added to form a metal crystal surface model.

[0007] Furthermore, when the unit cell is cut according to the index of the crystal face, the surface energy is used as a standard, and the number of atomic layers for constructing the crystal face is determined by calculating the surface energy of the crystal face of metal particles with different numbers of layers.

[0008] Preferably, in the step of combining the vacuum layer of the metal crystal surface model with the polymer molecular model to construct the metal / polymer interface model, the specific process is as follows: The optimized polymer molecular model is placed in the vacuum layer of the metal crystal surface model, and the position and orientation of the polymer molecules are adjusted to ensure that the polymer molecular model is in contact with the metal surface, thereby obtaining a metal / polymer interface model.

[0009] Preferably, in the step of obtaining the charge injection barrier and the charge density difference by optimizing the metal / polymer interface model, the calculation formula of the charge injection barrier is as follows: f e =φ M - EA+Δ; f h =φ M - IP+Δ; in, f e Provides a barrier for electron injection; f h Provides a barrier for hole injection; f M is the metal work function; EA is the polymer electron affinity; IP is the polymer ionization energy; Δ is the vacuum energy level difference; The charge density difference is calculated as follows: Δ r = r metal-polymer (z)- r metal (z)- r polymer (z) in, r metal-polymer (z) r metal (z) and r polymer (z) are the plane average charge density of the metal / polymer interface, metal crystal plane and polymer along the z-axis, respectively.

[0010] Further, a reference value is set, and the charge injection barrier and the charge density difference are compared with the reference value to obtain a comparison result, and the charge transfer characteristics and the charge distribution state of the metal / polymer interface are evaluated according to the comparison result. The specific process is as follows When the charge injection barrier is smaller than the reference value, the charge injection efficiency at the interface is high, and charges can be injected from the metal to the polymer; When the charge density difference is greater than the reference value, the charges form a density difference on both sides of the interface, allowing the charges to be transferred and separated.

[0011] In a second aspect, the present invention also provides a metal / polymer interface electrical performance evaluation system, comprising: The first model building module is used to build a polymer molecular model and a metal crystal surface model respectively; The second model building module is used to build a metal / polymer interface model by combining the vacuum layer of the metal crystal surface model with the polymer molecular model; A model processing module is used to obtain the charge injection barrier and charge density difference by optimizing the metal / polymer interface model; The evaluation module is used to set a reference value, compare the charge injection barrier and the charge density difference with the reference value to obtain a comparison result, and evaluate the charge transfer characteristics and charge distribution state of the metal / polymer interface according to the comparison result.

[0012] In a third aspect, the present invention also provides a mobile terminal, comprising a memory, a processor, and a computer program stored in the memory and executable on the processor, wherein the processor implements the steps of the method for evaluating electrical properties of the metal / polymer interface as described above when executing the computer program.

[0013] In a fourth aspect, the present invention further provides a computer-readable storage medium, wherein the computer-readable storage medium stores a computer program, and when the computer program is executed by a processor, the steps of the method for evaluating the electrical properties of the metal / polymer interface as described above are implemented.

[0014] Compared with the prior art, the present invention has the following beneficial technical effects: The present invention provides a method for evaluating the electrical properties of a metal / polymer interface, by respectively constructing a polymer molecular model and a metal crystal plane model; combining the vacuum layer of the metal crystal plane model with the polymer molecular model to construct a metal / polymer interface model; optimizing the metal / polymer interface model to obtain a charge injection barrier and a charge density difference, comparing the charge injection barrier and the charge density difference to obtain a comparison result, and evaluating the electrical properties of the metal / polymer interface according to the comparison result. The present invention can obtain the charge injection barrier and the charge density difference by optimizing the metal / polymer interface model. These two parameters jointly reflect the transmission characteristics and distribution state of the charge at the interface, and provide a reliable basis for comprehensively evaluating the electrical properties of the metal / polymer interface.

[0015] Furthermore, the present invention breaks through the limitations of traditional experimental testing methods and can deeply reveal the microscopic processes such as charge distribution, migration and injection mechanism at the interface. By creating polymer molecular models, metal crystal surface models and metal / polymer interface models and optimizing their structures, the electrical performance of metal / polymer combinations with different materials and different interface structures under real working conditions can be accurately evaluated.

[0016] Furthermore, the present invention provides a more accurate and comprehensive guidance for the performance optimization and reliability evaluation of high-voltage power transmission equipment such as DC GIS / GIL by calculating the charge injection barrier and charge density difference, as well as key parameters such as the plane average electrostatic potential distribution, metal surface work function, vacuum energy level difference, polymer electron affinity and ionization energy. BRIEF DESCRIPTION OF THE DRAWINGS

[0017] Figure 1 is a flow chart of a method for evaluating electrical properties of a metal / polymer interface in an embodiment of the present invention; Figure 2 Schematic diagram of the metal / polymer interface structure model in an embodiment of the present invention; Figure 3 Schematic diagram of charge density difference at the metal / polymer interface in an embodiment of the present invention; Figure 4 Schematic diagram of the electrical performance evaluation system of the metal / polymer interface in an embodiment of the present invention; In the figure: 1. First model building module; 2. Second model building module; 3. Model processing module; 4. Evaluation module. DETAILED DESCRIPTION

[0018] In order to enable those skilled in the art to better understand the scheme of the present invention, the technical scheme in the embodiments of the present invention will be clearly and completely described below in conjunction with the drawings in the embodiments of the present invention. Obviously, the described embodiments are only part of the embodiments of the present invention, not all of the embodiments. Based on the embodiments of the present invention, all other embodiments obtained by ordinary technicians in this field without creative work should fall within the scope of protection of the present invention.

[0019] The purpose of the present invention is to provide a method for evaluating the electrical properties of a metal / polymer interface and related equipment to solve the technical problem of how to improve the accuracy of evaluating the electrical properties of a metal / polymer interface in the prior art.

[0020] The present invention is further described in detail below in conjunction with the accompanying drawings: Example 1 See also Figure 1 In one embodiment of the present invention, a method for evaluating the electrical properties of a metal / polymer interface is provided, comprising the following steps: Step 1, constructing polymer molecular models and metal crystal surface models respectively; Specifically, in the step of constructing a polymer molecular model, the specific process is as follows: Obtain the monomer structure information of the polymer based on the polymer molecular chemical formula and draw the molecular structure of the monomer; Determine the type of polymerization reaction according to the molecular structure of the monomer, connect the monomer structure to form a polymer chain, and set the number of repeating units of the polymer according to the chain length information of the polymer chain; The polymer structure is optimized to achieve a stable conformation with the lowest energy, wherein the optimization operation includes an optimization step size and a convergence criterion.

[0021] Specifically, in the step of constructing the metal crystal surface model, the specific process is as follows: The metal crystal surface is cut into crystal cells, and the cells are expanded to form supercells according to the size of the polymer molecular model expected to be placed, and a vacuum layer is added to form a metal crystal surface model.

[0022] Among them, when the unit cell is cut according to the index of the crystal face, the surface energy is used as a standard, and the number of atomic layers for constructing the crystal face is determined by calculating the surface energy of the crystal face of metal particles with different numbers of layers.

[0023] Step 2, the vacuum layer of the metal crystal surface model is combined with the polymer molecular model to construct a metal / polymer interface model, such as Figure 2 As shown; Specifically, the specific process is as follows: The optimized polymer molecular model is placed in the vacuum layer of the metal crystal surface model, and the position and orientation of the polymer molecules are adjusted to ensure that the polymer molecular model is in contact with the metal surface, thereby obtaining a metal / polymer interface model.

[0024] The present invention uses the PBE-D3(BJ) / DZVP-MOLOPT-SR-GTH level to optimize the metal / polymer interface model.

[0025] Step 3, obtaining the charge injection barrier and charge density difference by optimizing the metal / polymer interface model; Specifically, the interface charge injection barrier is obtained by calculating the average plane electrostatic potential distribution, the metal surface work function and vacuum energy level difference, the polymer electron affinity and ionization energy.

[0026] Among them, the first-principles calculation software CP2K based on density functional theory is used to perform single-point energy calculation on the metal / polymer interface model to obtain electrostatic potential data and Fermi level; the electrostatic potential data is averaged along the direction perpendicular to the interface to obtain the plane average electrostatic potential distribution of the metal / polymer interface model; according to the plane average electrostatic potential distribution of the metal / polymer interface model, the metal surface work function φM and the vacuum energy level difference Δ are calculated; wherein the vacuum energy level difference Δ is the difference between the vacuum energy levels on the metal side and the polymer side; the metal surface work function φM is the difference between the vacuum energy level on the metal side and the Fermi level; Calculate the electron affinity and ionization energy of the polymer molecular structure model. The calculation expression of the polymer electron affinity and ionization energy is: EA = E(N)- E(N+1); IP = E(N-1)-E(N); In the formula, EA is the electron affinity of the polymer; IP is the ionization energy of the polymer; E(N) is the ground state energy of a neutral molecule containing N electrons in a vacuum, and E(N), E(N-1) and E(N+1) are the energies of the polymer molecular structure model when it is in a neutral state, with a positive charge, and with a negative charge, respectively.

[0027] The charge injection barrier between the metal / polymer interface is calculated based on the definition of the charge injection barrier in the energy band theory. The calculation expression of the charge injection barrier is: f e =φ M - EA+Δ; f h =φ M - IP+Δ; in, f e Provides a barrier for electron injection; f h Provides a barrier for hole injection; f M is the metal work function; EA is the polymer electron affinity; IP is the polymer ionization energy; Δ is the vacuum energy level difference.

[0028] Calculate the charge density difference at the metal / polymer interface according to Figure 3 As shown, the charge density difference between the interface structures is calculated as follows: Δ r = r metal-polymer (z)- r metal (z)- r polymer (z) In the formula, r metal-polymer (z) r metal (z) and r polymer (z) are the plane average charge density of the metal / polymer interface, metal crystal plane and polymer along the z-axis, respectively.

[0029] Step 4, setting a reference value, comparing the charge injection barrier and the charge density difference with the reference value to obtain a comparison result, and evaluating the charge transfer characteristics and charge distribution state of the metal / polymer interface based on the comparison result.

[0030] Specifically, the specific process is as follows When the charge injection barrier is smaller than the reference value, the charge injection efficiency at the interface is high, and charges can be injected from the metal to the polymer; When the charge density difference is greater than the reference value, the charges form a density difference on both sides of the interface, allowing the charges to be transferred and separated.

[0031] The present invention calculates the average electrostatic potential distribution of the plane, the metal surface work function and the vacuum energy level difference, the polymer electron affinity and ionization energy, and then obtains the interface charge injection barrier. By comparing the charge injection barrier and the charge density difference, the electrical performance of the interface is evaluated. The smaller the charge injection barrier, the higher the interface charge injection, and the greater the charge density difference.

[0032] In summary, the present invention provides a method for evaluating the electrical properties of a metal / polymer interface, which not only breaks through the limitations of traditional experimental test methods, but also can deeply reveal the microscopic processes such as charge distribution, migration and injection mechanism at the interface. By creating a polymer molecular model, a metal crystal plane model and a metal / polymer interface model, and performing structural optimization and first-principles calculations on them, the present invention can accurately evaluate the electrical properties of metal / polymer combinations of different materials and different interface structures under real working conditions. In particular, the present invention provides a more accurate and comprehensive guiding idea for the performance optimization and reliability evaluation of high-voltage power transmission equipment such as DC GIS / GIL by calculating the charge injection barrier and charge density difference, as well as key parameters such as the plane average electrostatic potential distribution, metal surface work function, vacuum energy level difference, polymer electron affinity and ionization energy. In addition, the method of the present invention is also highly flexible and adaptable, and can be widely used in the electrical performance evaluation of various metal / polymer interfaces.

[0033] Example 2 according to Figure 4 As shown, the present invention also provides a metal / polymer interface electrical performance evaluation system, comprising: The first model building module 1 is used to build a polymer molecular model and a metal crystal surface model respectively; The second model building module 2 is used to build a metal / polymer interface model by combining the vacuum layer of the metal crystal surface model with the polymer molecular model; Model processing module 3, used for obtaining charge injection barrier and charge density difference by optimizing the metal / polymer interface model; Evaluation module 4 is used to set a reference value, compare the charge injection barrier and the charge density difference with the reference value to obtain a comparison result, and evaluate the charge transfer characteristics and charge distribution state of the metal / polymer interface according to the comparison result.

[0034] Example 3 The present invention also provides a mobile terminal, comprising a memory, a processor, and a computer program stored in the memory and executable on the processor, such as an electrical performance evaluation program for a metal / polymer interface.

[0035] When the processor executes the computer program, the steps of the above-mentioned method for evaluating the electrical properties of the metal / polymer interface are implemented, for example: Construct polymer molecular models and metal crystal surface models respectively; The metal / polymer interface model is constructed by combining the vacuum layer of the metal crystal surface model with the polymer molecular model; The charge injection barrier and charge density difference are obtained by optimizing the metal / polymer interface model; A reference value is set, and the charge injection barrier and the charge density difference are compared with the reference value to obtain a comparison result. The charge transfer characteristics and the charge distribution state of the metal / polymer interface are evaluated based on the comparison result.

[0036] Alternatively, when the processor executes the computer program, the functions of each module in the above system are realized, for example: The first model building module 1 is used to build a polymer molecular model and a metal crystal surface model respectively; The second model building module 2 is used to build a metal / polymer interface model by combining the vacuum layer of the metal crystal surface model with the polymer molecular model; Model processing module 3, used for obtaining charge injection barrier and charge density difference by optimizing the metal / polymer interface model; Evaluation module 4 is used to set a reference value, compare the charge injection barrier and the charge density difference with the reference value to obtain a comparison result, and evaluate the charge transfer characteristics and charge distribution state of the metal / polymer interface according to the comparison result.

[0037] Exemplarily, the computer program may be divided into one or more modules / units, which are stored in the memory and executed by the processor to implement the present invention. The one or more modules / units may be a series of computer program instruction segments capable of implementing specific functions, which are used to describe the execution process of the computer program in the mobile terminal.

[0038] For example, the computer program may be divided into a first model building module 1, a second model building module 2, a model processing module 3 and an evaluation module 4; The specific functions of each module are as follows: The first model building module 1 is used to build a polymer molecular model and a metal crystal surface model respectively; The second model building module 2 is used to build a metal / polymer interface model by combining the vacuum layer of the metal crystal surface model with the polymer molecular model; Model processing module 3, used for obtaining charge injection barrier and charge density difference by optimizing the metal / polymer interface model; Evaluation module 4 is used to set a reference value, compare the charge injection barrier and the charge density difference with the reference value to obtain a comparison result, and evaluate the charge transfer characteristics and charge distribution state of the metal / polymer interface according to the comparison result.

[0039] The mobile terminal may be a computing device such as a desktop computer, a notebook, a palm computer, a cloud server, etc. The mobile terminal may include, but is not limited to, a processor and a memory.

[0040] The processor may be a central processing unit (CPU), or other general-purpose processors, digital signal processors (DSP), application-specific integrated circuits (ASIC), field-programmable gate arrays (FPGA) or other programmable logic devices, discrete gate or transistor logic devices, discrete hardware components, etc. A general-purpose processor may be a microprocessor or any conventional processor, etc. The processor is the control center of the mobile terminal, and uses various interfaces and lines to connect various parts of the entire mobile terminal.

[0041] The memory may be used to store the computer programs and / or modules, and the processor implements various functions of the mobile terminal by running or executing the computer programs and / or modules stored in the memory and calling the data stored in the memory.

[0042] The memory may mainly include a program storage area and a data storage area, wherein the program storage area may store an operating system, an application required for at least one function (such as a sound playback function, an image playback function, etc.), etc.; the data storage area may store data created according to the use of the mobile phone (such as audio data, a phone book, etc.), etc. In addition, the memory may include a high-speed random access memory, and may also include a non-volatile memory, such as a hard disk, a memory, a plug-in hard disk, a smart memory card (SmartMediaCard, SMC), a secure digital (SecureDigital, SD) card, a flash card (FlashCard), at least one disk storage device, a flash memory device, or other volatile solid-state storage devices.

[0043] Example 4 The present invention also provides a computer-readable storage medium, wherein the computer-readable storage medium stores a computer program, and when the computer program is executed by a processor, the steps of the method for evaluating the electrical properties of a metal / polymer interface are implemented.

[0044] If the module / unit integrated in the mobile terminal 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.

[0045] Based on this understanding, the present invention implements all or part of the processes in the above method, and can also be completed by instructing related hardware through a computer program, and the computer program can be stored in a computer-readable storage medium, and when the computer program is executed by a processor, the steps of the above-mentioned aggregate reinforcement learning resource scheduling method can be implemented. Among them, the computer program includes computer program code, and the computer program code can be in source code form, object code form, executable file or some intermediate form, etc.

[0046] The computer-readable medium may include: any entity or device capable of carrying the computer program code, recording medium, USB flash drive, mobile hard disk, magnetic disk, optical disk, computer memory, read-only memory (ROM), random access memory (RAM), electrical carrier signal, telecommunication signal and software distribution medium, etc.

[0047] It should be noted that the content contained in the computer-readable medium can be appropriately increased or decreased according to the requirements of legislation and patent practice in the jurisdiction. For example, in some jurisdictions, according to legislation and patent practice, computer-readable media does not include electrical carrier signals and telecommunication signals.

[0048] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of the present invention rather than to limit it. Although the present invention has been described in detail with reference to the above embodiments, ordinary technicians in the relevant field should understand that the specific implementation methods of the present invention can still be modified or replaced by equivalents. Any modification or equivalent replacement that does not depart from the spirit and scope of the present invention should be covered within the scope of protection of the claims of the present invention.

Claims

1. A method for evaluating the electrical properties of a metal / polymer interface, characterized in that: include Construct polymer molecular models and metal crystal surface models respectively; The metal / polymer interface model is constructed by combining the vacuum layer of the metal crystal surface model with the polymer molecular model; The charge injection barrier and charge density difference are obtained by optimizing the metal / polymer interface model; A reference value is set, and the charge injection barrier and the charge density difference are compared with the reference value to obtain a comparison result. The charge transfer characteristics and the charge distribution state of the metal / polymer interface are evaluated based on the comparison result.

2. The method for evaluating electrical properties of a metal / polymer interface according to claim 1, characterized in that: In the steps of building a polymer molecular model, the specific process is as follows: Obtain the monomer structure information of the polymer based on the polymer molecular chemical formula and draw the molecular structure of the monomer; Determine the type of polymerization reaction according to the molecular structure of the monomer, connect the monomer structure to form a polymer chain, and set the number of repeating units of the polymer according to the chain length information of the polymer chain; The polymer structure is optimized to achieve a stable conformation with the lowest energy, wherein the optimization operation includes an optimization step size and a convergence criterion.

3. The method for evaluating electrical properties of a metal / polymer interface according to claim 1, characterized in that: In the steps of constructing the metal crystal surface model, the specific process is as follows: The metal crystal surface is cut into crystal cells, and the cells are expanded to form supercells according to the size of the polymer molecular model expected to be placed, and a vacuum layer is added to form a metal crystal surface model.

4. The method for evaluating electrical properties of a metal / polymer interface according to claim 2, characterized in that: When the unit cell is cut according to the index of the crystal face, the surface energy is used as the standard, and the number of atomic layers for constructing the crystal face is determined by calculating the surface energy of the crystal face of metal particles with different numbers of layers.

5. The method for evaluating electrical properties of a metal / polymer interface according to claim 1, characterized in that: In the step of combining the vacuum layer of the metal crystal surface model with the polymer molecular model to construct a metal / polymer interface model, the specific process is as follows: The optimized polymer molecular model is placed in the vacuum layer of the metal crystal surface model, and the position and orientation of the polymer molecules are adjusted to ensure that the polymer molecular model is in contact with the metal surface, thereby obtaining a metal / polymer interface model.

6. The method for evaluating electrical properties of a metal / polymer interface according to claim 1, characterized in that: In the step of obtaining the charge injection barrier and the charge density difference by optimizing the metal / polymer interface model, the calculation formula of the charge injection barrier is as follows: φ e =φ M - EA+Δ; φ h =φ M - IP+D; in, φ e Provides a barrier for electron injection; φ h Provides a barrier for hole injection; φ M is the metal work function; EA is the polymer electron affinity; IP is the polymer ionization energy; Δ is the vacuum energy level difference; The charge density difference is calculated as follows: Δ ρ = ρ metal-polymer (With)- ρ metal (With)- ρ polymer (With) in, ρ metal-polymer (z) ρ metal (z) and ρ polymer (z) are the plane average charge density of the metal / polymer interface, metal crystal plane and polymer along the z-axis, respectively.

7. A method for evaluating electrical properties of a metal / polymer interface according to claim 6, characterized in that: In the step of setting a reference value, comparing the charge injection barrier and the charge density difference with the reference value to obtain a comparison result, and evaluating the charge transfer characteristics and charge distribution state of the metal / polymer interface according to the comparison result, the specific process is as follows When the charge injection barrier is smaller than the reference value, the charge injection efficiency at the interface is high, and charges can be injected from the metal to the polymer; When the charge density difference is greater than the reference value, the charges form a density difference on both sides of the interface, allowing the charges to be transferred and separated.

8. A metal / polymer interface electrical performance evaluation system, characterized in that: include The first model building module is used to build a polymer molecular model and a metal crystal surface model respectively; The second model building module is used to build a metal / polymer interface model by combining the vacuum layer of the metal crystal surface model with the polymer molecular model; A model processing module is used to obtain the charge injection barrier and charge density difference by optimizing the metal / polymer interface model; The evaluation module is used to set a reference value, compare the charge injection barrier and the charge density difference with the reference value to obtain a comparison result, and evaluate the charge transfer characteristics and charge distribution state of the metal / polymer interface according to the comparison result.

9. A mobile terminal comprising a memory, a processor, and a computer program stored in the memory and executable on the processor, characterized in that: When the processor executes the computer program, the steps of the method for evaluating the electrical properties of the metal / polymer interface according to any one of claims 1 to 7 are implemented.

10. A computer-readable storage medium storing a computer program, characterized in that: When the computer program is executed by a processor, the steps of the method for evaluating the electrical properties of a metal / polymer interface according to any one of claims 1 to 7 are implemented.

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