A method for screening solar cell devices based on a high-throughput optical model

The high-throughput optical modeling method for solar cell design addresses the inefficiencies of traditional methods by rapidly evaluating various configurations, resulting in cost-effective and high-performance transparent solar cells.

CN115392042BActive Publication Date: 2025-07-15SOUTH CHINA UNIV OF TECH
View PDF 2 Cites 0 Cited by

Patent Information

Application Number
CN202211069261.X
Authority / Receiving Office
CN · China
Patent Type
Patents(China)
Current Assignee / Owner
Filing Date
2022-08-31
Publication Date
2025-07-15
Estimated Expiration
2042-08-31

AI Technical Summary

Technical Problem

The prior art is difficult to efficiently perform high-throughput screening of organic solar cell devices, and the traditional method has a slow calculation speed and cannot meet the needs of device design.

Method used

Using a high-throughput optical model based on the transmission matrix, the optimal device is selected by establishing a material optical constant database, calculating the photoelectric field distribution, optimizing the device structure.

Benefits of technology

It realizes efficient device screening, improves calculation speed, reduces costs, and is suitable for organic solar cells, perovskite cells and thin film batteries, meeting the design requirements of translucent photovoltaic devices.

✦ Generated by Eureka AI based on patent content.

Smart Images

  • Figure CN115392042B_ABST
    Figure CN115392042B_ABST
Patent Text Reader

Abstract

The present invention discloses a method for screening solar cell devices based on a high-throughput optical model. The method includes the following steps: establishing a database of material optical constants, establishing a functional relationship between the properties of solar cell devices and the parameters of the materials used; calculating the short-circuit current J of the opaque device corresponding to the device to be screened by the transfer matrix method SC ; characterizing the optoelectronic properties of the opaque device corresponding to the device to be screened; establishing a high-throughput optical model by the batch transfer matrix method, calculating the distribution of the optoelectronic field in the device to be screened, and further calculating and recording the optical properties of the device to be screened; selecting the best or required solar cell device according to the calculation results. The present invention designs the device structure of the organic solar cell through a high-throughput optical model based on the transfer matrix, changes the design idea of the organic solar cell, and combines computer programming languages to assist in designing a more functional organic solar cell
Need to check novelty before this filing date? Find Prior Art

Description

Technical Field:

[0001] The present invention relates to the field of solar cell design, and particularly to a method for screening solar cell devices based on a high-throughput optical model. Background Art:

[0002] Currently, one of the most severe challenges faced by humanity is to find clean and renewable energy sources to meet the growing energy demands of the population and industry. Therefore, the pursuit of new advanced energy materials is particularly important. Among all advanced, environmentally friendly, and clean energy materials, the most prominent should be solar cells, because the fundamental source of their energy is the sun and the cost is theoretically zero. In addition to thermal energy, converting solar energy into electrical energy that can be utilized by humans is a more efficient and higher-utilization method, and solar cells can achieve this conversion process. Since the cost of obtaining solar energy is almost zero, solar cells naturally have the advantage of low cost. Coupled with the fact that there is a considerable amount of research on solar cells, solar cells also have the advantage of high efficiency.

[0003] In recent years, the rapid development of organic solar cells has attracted people's attention. Starting from the earliest organic solar cells (Applied physics letters, 1986, 48(2): 183-185), organic solar cells have evolved from donor-acceptor separation cells to the currently commonly used bulk heterojunction cells (Science, 1995, 270(5243): 1789-1791), and further from fullerene-based active layers to non-fullerene-based active layers. The device efficiency of the latest quaternary blend active layer system organic solar cells has reached 18.2% (Nature communications, 2021, 12(1): 1-10).

[0004] For the improvement of the device efficiency of organic solar cells, finding and developing new active layer materials is the most fundamental research idea. However, the development of new organic materials often has limitations such as high difficulty, long cycle, and high cost. Therefore, it is necessary to change the research direction and start improving from other parts of the device. With the comprehensive requirements for the transparency and device efficiency of photovoltaic devices (i.e., semi-transparent photovoltaic devices), such as photovoltaic glass, photovoltaic greenhouse greenhouses, wearable devices, etc., the cost of developing semi-transparent photovoltaic devices using traditional experimental methods is relatively high, and high-throughput calculations are required to optimize the device structure to reduce costs (Adv. Mater. 2019, 31, 1807159; J. Am. Chem. Soc. 2018, 140, 29, 9140-9147). Therefore, starting from the overall device and accelerating the design of the device structure of organic solar cells through the assistance of computers and the like is a feasible strategy.

[0005] Pettersson et al. proposed to use the transfer matrix method to calculate the optical field intensity distribution in a device (Journal of Applied Physics 86, 487 (1999)). First, physical assumptions and modeling were carried out on the device of the organic solar cell, including: the interfaces of each layer of the device are flat and parallel; the optical properties of the materials can be represented by complex refractive indices, and each layer of material is uniform and isotropic; the light received by the device is a plane wave; the light behaves as coherent light in the device. Then, according to the optical properties of the materials, the distribution of the optical field intensity inside the device was calculated by the transfer matrix method. However, the calculation speed of this method is not high, and it can only be used for verification or a small amount of screening, unable to meet the requirements of high-throughput screening of devices. Therefore, it is particularly important to develop a method for high-throughput screening of solar cells. Summary of the Invention:

[0006] In order to further break through the bottlenecks encountered in the development and design of organic solar cells, the present invention provides a high-throughput optical design model based on the transfer matrix, aiming to change the design and improvement ideas of organic solar cells and achieve high-throughput design of highly functional organic solar cells.

[0007] The object of the present invention is achieved by at least one of the following technical solutions.

[0008] A method for screening solar cell devices based on a high-throughput optical model includes the following steps:

[0009] S1. Establish a database of material optical constants and establish a functional relationship between the properties of the solar cell device and the parameters of the materials used;

[0010] S2. Calculate the short-circuit current J of the opaque device corresponding to the device to be screened by the transfer matrix method SC ;

[0011] S3. Characterize the optoelectronic properties of the opaque device corresponding to the device to be screened;

[0012] S4. Establish a high-throughput optical model by the batch processing transfer matrix method, calculate the distribution of the optoelectronic field in the device to be screened, and further calculate and record the optical properties of the device to be screened;

[0013] S5. Select the best or compliant solar cell device according to the calculation results.

[0014] Further, in step S1, the database of material optical constants is collected by measuring the ellipsometry data of the required materials, fitting, and collecting;

[0015] The established functional relationship between the properties of the solar cell device and the parameters of the materials used is specifically expressed as follows:

[0016]

[0017] Among them, the properties of the solar cell device include short - circuit current Jsc, device efficiency PCE, visible light transmittance VLT for the human eye, average visible light transmittance AVT, transmission or reflection chromaticity coordinates (x, y), and color rendering index CRI; the solar cell device includes multiple layers of materials; Y p represents the p - th property of the solar cell device, and n is the total number of properties of the solar cell device, is the complex refractive index of the j - th layer of material of the solar cell device, d j is the thickness of the j - th layer of material of the solar cell device, and m is the total number of material layers of the solar cell device;

[0018] Assume that light enters from one - side medium, passes through m layers of photovoltaic materials, and then reaches the opaque absorption substrate or transparent medium on the other side. The complex refractive index is η j (λ) is the refractive index of the j - th layer of material at wavelength λ, κ j (λ) is the extinction coefficient of the j - th layer of material at wavelength λ, i is the imaginary unit and i 2 = - 1.

[0019] Furthermore, in step S2, the opaque device is a thick back - electrode opaque device, which is used to calculate the best light - absorption properties of the solar cell device with the same device structure except for the electrode, that is, the device to be screened.

[0020] The opaque device is the device when the electrode is thick enough to be opaque. The thickness of the electrode of the opaque device is not less than 100 nm.

[0021] Furthermore, the calculation of the short - circuit current J SC of the opaque device corresponding to the device to be screened is specifically as follows:

[0022] Calculate the light - field intensity distribution inside the opaque device through the traditional method (Journal of Applied Physics 86, 487 (1999)). Assume that the internal quantum efficiency (IQE) of the active - layer structure in the solar cell is 100%. According to the differential form of Lambert - Beer's law, calculate the short - circuit current J of the opaque device or the device to be screened through the following formula SC :

[0023]

[0024] Among them, A j is the absorption rate of the j - th layer of material, x is the distance from the internal position of the opaque device or the device to be screened to the incident interface, λ is the wavelength, η0(λ) is the refractive index of the incident - layer material, θ0 is the incident angle, E j\(E(x)\) is the optical electric field distribution at the x-position of the j-th layer material of the opaque device or the device to be screened, and Q j \(D(x,\lambda)\) is the dissipation of light at the x-position and wavelength \(\lambda\) of the j-th layer material of the opaque device or the device to be screened. \(E_0\) is the incident optical field strength, \(AM(\lambda)\) is the standard sunlight AM 1.5G spectrum, and G j \(G(x,\lambda)\) is the generation rate of photoelectrons at the x-position and wavelength \(\lambda\) of the j-th layer material of the opaque device or the device to be screened, and G al \(G(x,\lambda)\) is the generation rate of photoelectrons at the x-position and wavelength \(\lambda\) in the active layer of the opaque device or the device to be screened. The calculated short-circuit current is denoted as J SC-opa-sim , v is the optical propagation frequency, q is the charge constant, h is the Planck constant, and c is the propagation speed of light in vacuum.

[0025] Furthermore, in step S3, the optoelectronic properties of the opaque device corresponding to the device to be screened are characterized, including the device efficiency PCE opa-exp 、short-circuit current J SC-opa-exp 、open-circuit voltage V OC and fill factor FF.

[0026] Furthermore, step S4 includes the following steps:

[0027] S4.1. Read the optical constants of all materials involved in the calculation of the opaque device and the device to be screened from the material optical constant database established in step S1, read the physical constants and relevant spectral data required for the calculation in the computer programming language, set the calculation variables and the list for recording the calculation results;

[0028] S4.2. Use the batch transfer matrix method to establish a high-throughput optical model, calculate the element values in the transfer matrix corresponding to the opaque device and the device to be screened in parallel, and calculate the transmission spectrum through the following formula:

[0029]

[0030] Calculate and record the short-circuit current J through the optical electric field SC-sim , and assume that the open-circuit voltage V OC and fill factor FF of the device to be screened are equal to the open-circuit voltage V OC and fill factor FF of the opaque device respectively, and calculate and record the simulated efficiency of the device to be screened through the following formula:

[0031]

[0032] Calculate and record the average visible light transparency AVT according to the following formula:

[0033]

[0034] Calculate and record the visible light transmittance VLT according to the following formula:

[0035]

[0036] where I(λ) is the incident light intensity at wavelength λ, T(λ) is the transmittance at wavelength λ, and V(λ) is the human eye visual function with wavelength λ as a variable under the CIE standard;

[0037] Calculate and record the chromaticity coordinates of the transmission spectrum of the device to be screened and the color rendering index CRI according to the 1931 CIE XYZ color standard published by CIE;

[0038] S4.3. Repeat step S4.2 until all devices to be screened are calculated.

[0039] Furthermore, in step S4.2, establishing a high-throughput optical model includes the following steps:

[0040] S4.1.1. Read the AM 1.5G standard sunlight spectrum, read the CIE spectral tristimulus values, read the standard light source data for calculating the color rendering index CRI, read the human eye visual function for calculating the visible light transmittance of the human eye, set the speed of light c = 299792458, set the permittivity ∈0 = 8.854187817×10 -12 , Planck's constant h = 6.62607015×10 -34 , charge constant q = 1.602176565×10 -19 ;

[0041] S4.1.2. Set the wavelength range as L, set the active layer, set the calculation step size, set the incident angle θ, set the number b of devices to be screened for parallel calculation at one time and divide them into several batches, set the thickness change range of each layer of material and generate a list of all thickness combinations using the Cartesian product and record the thickness of each layer of material as d j ;

[0042] S4.1.3. According to the list of all thickness combinations of the devices to be screened, initialize the short-circuit current Jsc list, initialize the device efficiency PCE list, initialize the visible light transmittance VLT list, initialize the average visible light transmittance AVT list, initialize the chromaticity coordinate (x, y) list, and initialize the color rendering index CRI list;

[0043] S4.1.4. Use the Fresnel formula to calculate the amplitude reflectance r jk and the amplitude transmittance t jk at the incident interface, the exit interface, and the contact interfaces of each layer of material. The subscript jk represents the interface between the adjacent j-th layer of material and the k-th layer of material, and calculate: where ξj is the wave vector of the j-th layer material, and θ j is the incident angle of the j-th layer material.

[0044] Furthermore, in step S4.2, a batch of opaque devices and devices to be screened are selected for calculation, and the elements in each matrix in the transfer matrix method are initialized;

[0045] Set S′ 11 = S′ 22 = [1 / t 01 b×L , and set S′ 12 = S′ 21 = [r 01 / t 01 b×L , and set S″ 11 = S″ 22 = [1] b×L , and set S″ 12 = S″ 21 = [0] b×L ;

[0046] Starting from the incident side, all intermediate layers are traversed in sequence, and the following calculations are performed for each layer of material:

[0047]

[0048] And:

[0049]

[0050] Among them, S′ 11 , S′ 12 , S′ 21 , S′ 22 are the four elements of the forward propagation matrix, S″ 11 , S″ 12 , S″ 21 , S″ 22 are the four elements of the backward propagation matrix, temp 11 , temp 12 , temp 21 , temp 22 are temporary variables; the above calculations are performed until all interfaces are calculated;

[0051] To calculate the forward propagation matrix, the following calculations are performed:

[0052]

[0053] And:

[0054] ​​

[0055] Among them, S 11 , S 12 , S 21 , S 22 are the four elements of the forward propagation matrix, and the symbol subscript m represents the material of the m-th layer.

[0056] Compared with the prior art, the present invention has the following advantages and beneficial effects:

[0057] (1) By means of the transfer matrix method, the present invention realizes the establishment of a high-throughput optical model.

[0058] (2) In the high-throughput optical model of the present invention, it is not necessary to design and adjust the materials of each layer of the device, and only the thickness of each layer needs to be adjusted to optimize the best device.

[0059] (3) The high-throughput optical model of the present invention improves the calculation speed, saves time cost, and can meet the high-throughput screening requirements of organic solar cell devices.

[0060] (4) The applicable scope of the high-throughput optical model of the present invention includes but is not limited to organic solar cells, perovskite cells, thin-film cells, etc. Description of the drawings:

[0061] Figure 1 is the PCE-VLT image calculated by the high-throughput optical model in Example 1 of the present invention for the device types described in Example 1;

[0062] Figure 2 is the PCE-CRI image calculated by the high-throughput optical model in Example 2 of the present invention for the device types described in Example 2;

[0063] Figure 3 is the PCE-VLT image calculated by the high-throughput optical model in Example 3 of the present invention for the device types described in Example 3;

[0064] Figure 4 is the step flow chart of a high-throughput optical model and its application in a semi-transparent organic solar cell in an embodiment of the present invention. Detailed implementation manners:

[0065] The following combines examples to further elaborate on the present invention in detail, but the implementation manners and protection scope of the present invention are not limited thereto.

[0066] Example 1:

[0067] A method for screening solar cell devices based on a high-throughput optical model, as Figure 4 shown, includes the following steps:

[0068] (1) Select appropriate material combinations for organic solar cell devices from the aforementioned material database: ITO (150 nm) / PEDOT:PSS (40 nm) / PM6:Y6 (10:100 nm) / PFN-Br (5 nm) / Ag (5:1:15 nm) / LiF (0:10:200 nm) / MoO3 (0:10:200 nm) / LiF (0:10:200 nm) / MoO3 (0:10:200 nm), a total of 2,139,291 different devices to be screened;

[0069] (2) Write a program through a computer programming language to implement the aforementioned high-throughput optical model, calculate properties such as the short-circuit current Jsc, device efficiency PCE, average visible light transmittance AVT, visible light transmittance VLT, chromaticity coordinates (x, y) of the transmitted or reflected light of the device, color rendering index CRI, etc. of the devices to be screened and record them; during the calculation process, the calculation speed is maintained at about 2000 devices to be screened per second;

[0070] (3) As Figure 1 shown, draw a PCE-VLT image, select the devices to be screened that satisfy VLT > 30% and PCE > 10%, and finally optimize the structure to ITO (150 nm) / PEDOT:PSS (40 nm) / PM6:Y6 (80 nm) / PFN-Br (5 nm) / Ag (15 nm) / LiF (20 nm) / MoO3 (20 nm) / LiF (110 nm) / MoO3 (70 nm), whose theoretical performance can reach 30.5% VLT and 11.2% PCE, ensuring both a certain light transmittance and a certain device efficiency;

[0071] (4) Draw the chromaticity coordinates of all the selected devices to be screened in the 1931 CIEXYZ color space. Preferably, select the structure of the device to be screened according to the color required by the device;

[0072] (5) Preferably, sort the color rendering index CRI to obtain the device to be screened with the largest color rendering index, and its structure is: ITO (150 nm) / PEDOT:PSS (40 nm) / PM6:Y6 (30 nm) / PFN-Br (5 nm) / Ag (6 nm) / LiF (110 nm) / MoO3 (140 nm) / LiF (90 nm), and the color rendering index CRI can reach 99.5;

[0073] (6) Use the traditional non-batch transfer matrix method to calculate the device structures in step (1), and the calculation speed is about 2 devices to be screened per second, proving that the aforementioned high-throughput design model can increase the calculation speed by 1000 times.

[0074] In this embodiment, the PCE-VLT image obtained by the high-throughput optical model for calculating the types of devices to be screened is shown in Figure 1 .

[0075] Example 2:

[0076] A method for screening solar cell devices based on a high-throughput optical model includes the following steps:

[0077] (1) Select a suitable material combination of organic solar cell devices from the aforementioned material database: ITO (150 nm) / PEDOT:PSS (40 nm) / PM6:Y6BO (10:100 nm) / PFN-Br (5 nm) / Ag (5:1:15 nm) / LiF (0:10:200 nm) / MoO3 (0:10:200 nm), a total of 48,510 different devices to be screened;

[0078] (2) Write a program through a computer programming language to implement the aforementioned high-throughput optical model, calculate properties such as the short-circuit current Jsc, device efficiency PCE, average visible light transmittance AVT, visible light transmittance VLT, chromaticity coordinates (x, y) of the transmitted or reflected light of the device, color rendering index CRI, etc. of the devices to be screened and record them; during the calculation process, the calculation speed is maintained at about 2,000 devices to be screened per second;

[0079] (3) As Figure 2 shown, draw a PCE-CRI image. Preferably, select the device to be screened with the highest efficiency under the condition of CRI > 95, and obtain the device structure that meets the requirements as: ITO (150 nm) / PEDOT:PSS (40 nm) / PM6:Y6BO (90 nm) / PFN-Br (5 nm) / Ag (15 nm) / LiF (70 nm) / MoO3 (160 nm), whose theoretical CRI can reach 95.7 and theoretical PCE can reach 13.7%;

[0080] (4) Draw the chromaticity coordinate distribution of all selected devices to be screened in the 1931 CIEXYZ standard color space, and select the devices to be screened with the desired displayed color; the calculated chromaticity coordinates of the simulated purple-displaying device are (0.27, 0.19), and the corresponding device structure is: ITO (150 nm) / PEDOT:PSS (40 nm) / PM6:Y6BO (60 nm) / PFN-Br (5 nm) / Ag (15 nm) / LiF (70 nm) / MoO3 (200 nm);

[0081] In this embodiment, the PCE-CRI image obtained by the high-throughput optical model for calculating the types of devices to be screened is shown in Figure 2 .

[0082] Example 3:

[0083] A method for screening solar cell devices based on a high-throughput optical model, comprising the following steps:

[0084] (1) In this embodiment, the non-fullerene system active layer in Embodiment 2 is replaced with a fullerene system active layer, and the material combination of the organic solar cell device is: ITO (150 nm) / PEDOT:PSS (40 nm) / PTB7-Th:PC 71 BM (50:10:150 nm) / PFN-Br (5 nm) / Ag (10:10:100 nm) / LiF (0:10:200 nm) / MoO3 (0:10:200 nm), a total of 97,020 different devices to be screened;

[0085] (2) Implement the aforementioned high-throughput optical model by writing a program in a computer programming language, calculate properties such as the short-circuit current Jsc, device efficiency PCE, average visible light transmittance AVT, visible light transmittance VLT, chromaticity coordinates (x, y) of the transmitted or reflected light of the device, color rendering index CRI, etc. of the devices to be screened and record them; during the calculation process, the calculation speed is maintained at about 2,000 devices to be screened per second;

[0086] (3) As shown in Figure 3 , draw a PCE-VLT image. Preferably, select the devices to be screened that satisfy VLT > 30% and PCE > 10%. Finally, preferably select the structure of ITO (150 nm) / PEDOT:PSS (40 nm) / PTB7-Th:PC 71 BM (200 nm) / PFN-Br (5 nm) / Ag (13 nm) / LiF (170 nm) / MoO3 (70 nm), whose theoretical performance can reach 25.0% VLT and 8.8% PCE, achieving the dual-objective optimization of visible light transmittance and device efficiency;

[0087] (4) Draw the chromaticity coordinates of all the selected devices to be screened in the 1931 CIEXYZ color space. Preferably, select the structure of the device to be screened according to the color required by the device;

[0088] (5) Preferably, sort the color rendering index CRI to obtain the device to be screened with the largest color rendering index, and its structure is: ITO (150 nm) / PEDOT:PSS (40 nm) / PTB7-Th:PC 71 BM (140 nm) / PFN-Br (5 nm) / Ag (11 nm) / LiF (150 nm) / MoO3 (150 nm), and the color rendering index CRI can reach 99;

[0089] In this embodiment, the PCE-VLT image obtained by the high-throughput optical model for calculating the types of devices to be screened is shown in Figure 3 .

[0090] The above embodiments are preferred embodiments of the present invention. However, the embodiments of the present invention are not limited by the above embodiments. Any other changes, modifications, substitutions, combinations, and simplifications made without departing from the spirit and principle of the present invention shall be equivalent replacement methods and are all included in the protection scope of the present invention.

Claims

1. A screening method for solar cell devices based on a high-throughput optical model, characterized in that, Including the following steps: S1. Establish a database of material optical constants and establish a functional relationship between the properties of solar cell devices and the parameters of the materials used; S2. Calculate the short - circuit current J of the opaque device corresponding to the device to be screened by the transfer - matrix method SC ; S3. Characterize the optoelectronic properties of the opaque device corresponding to the device to be screened; the optoelectronic properties of the opaque device corresponding to the device to be screened include the device efficiency PCE opa-exp , short-circuit current J SC-opa-exp , open-circuit voltage V OC and fill factor FF; S4. Establish a high-throughput optical model by the batch transfer matrix method, calculate the distribution of the photoelectric field in the device to be screened, and further calculate and record the optical properties of the device to be screened; Step S4 includes the following steps: S4.

1. Read the optical constants of all materials involved in calculating the opaque device and the device to be screened from the database of material optical constants established in step S1, read the physical constants and relevant spectral data required for calculation in the computer programming language, set the calculation variables, and set up a list for recording the calculation results; S4.

2. Use the batch transfer matrix method to establish a high-throughput optical model, calculate the element values in the transfer matrix corresponding to the opaque device and the device to be screened in parallel, and calculate the transmission spectrum through the following formula: Calculate and record the short-circuit current J through the optoelectronic field SC-sim , and assume that the open-circuit voltage V OC and fill factor FF of the device to be screened are equal to the open-circuit voltage V OC and fill factor FF of the opaque device respectively. Calculate and record the simulated efficiency of the device to be screened through the following formula: Calculate and record the average visible light transmittance AVT according to the following formula: Calculate and record the visible light transmittance VLT according to the following formula: Wherein, I(λ) is the incident light intensity at wavelength λ, T(λ) is the transmittance at wavelength λ, and V(λ) is the human eye visibility function with wavelength λ as the variable under the CIE standard; Calculate and record the chromaticity coordinates and color rendering index CRI of the transmission spectrum of the device to be screened according to the 1931 CIE XYZ color standard published by CIE; Take a batch of opaque devices and devices to be screened for calculation, and initialize the elements in each matrix in the transfer matrix method; Set S' 11 = S' 22 = [1 / t 01 b×L , set S' 12 = S' 21 = [r 01 / t 01 b×L , set S'' 11 = S'' 22 = [1] b×L , set S'' 12 = S'' 21 = [0] b×L ;​​ Starting from the incident side, traverse all the intermediate layers in sequence, and perform the following calculations for each layer of material: And: Among them, S′ 11 , S′ 12 , S′ 21 , S′ 22 are the four elements of the forward propagation matrix, and S″ 11 , S″ 12 , S″ 21 , S″ 22 are the four elements of the backward propagation matrix, and temp 11 , temp 12 , temp 21 , temp 22 are temporary variables; perform the above calculations until all calculations at all interfaces are completed; S4.

3. Loop through step S4.2 until all the devices to be screened are calculated; S5. Select the best or required solar cell device according to the calculation results.

2. The screening method of a solar cell device based on a high-throughput optical model according to claim 1, characterized in that: In step S1, the database of material optical constants is measured, fitted, and collected from the ellipsometry data of the required materials; The established functional relationship between the properties of solar cell devices and the parameters of the materials used is specifically expressed as follows: Among them, the properties of the solar cell device include short-circuit current Jsc, device efficiency PCE, visible light transmittance VLT for the human eye, average visible light transmittance AVT, transmission or reflection chromaticity coordinates (x, y), and color rendering index CRI; the solar cell device includes multiple layers of materials; Y p represents the p-th property of the solar cell device, and n is the total number of properties of the solar cell device, is the complex refractive index of the j-th layer of material of the solar cell device, and d j is the thickness of the j-th layer of material of the solar cell device, and m is the total number of material layers of the solar cell device.

3. A screening method for solar cell devices based on a high-throughput optical model according to claim 2, characterized in that: Assume that light is incident from one side medium, passes through m layers of photovoltaic materials, and then reaches the opaque absorbing substrate or transparent medium on the other side. The complex refractive index is ηj(λ) is the refractive index of the j-th layer material at wavelength λ, and κ j (λ) is the extinction coefficient of the j-th layer material at wavelength λ. i is the imaginary unit and i 2 = -1.

4. The screening method of a solar cell device based on a high-throughput optical model according to claim 3, characterized in that: In step S2, the opaque device is a thick back electrode opaque device, which is used to calculate the best light absorption properties of solar cell devices with the same device structure except for the electrode, that is, the devices to be screened; The opaque device is a device when the electrode is thick enough to be opaque, and the thickness of the electrode of the opaque device is not less than 100 nm.

5. A screening method for solar cell devices based on a high-throughput optical model according to claim 4, characterized in that: Short-circuit current J of the opaque device corresponding to the device to be screened SC is calculated as follows: Calculate the light field intensity distribution inside the opaque device. Assume that the internal quantum efficiency (IQE) of the active layer structure in the solar cell is 100%. According to the differential form of Lambert-Beer's law, calculate the short-circuit current J of the opaque device or the device to be screened through the following formula SC :[[]]END]] where A j is the absorption rate of the j-th layer material, x is the distance from the incident interface to the internal position of the opaque device or the device to be screened, λ is the wavelength, η0(λ) is the refractive index of the incident layer material, θ0 is the incident angle, E j (x) is the optical electric field distribution at the x position of the j-th layer material of the opaque device or the device to be screened, Q j (x, λ) is the dissipation of light at the x position and wavelength λ of the j-th layer material of the opaque device or the device to be screened, is the incident optical field strength, AM(λ) is the standard sunlight AM 1.5G spectrum, G j (x, λ) is the generation rate of photoelectrons at the x position and wavelength λ of the j-th layer material of the opaque device or the device to be screened, G al (x, λ) is the generation rate of photoelectrons at the x position and wavelength λ in the active layer of the opaque device or the device to be screened. The calculated short-circuit current is denoted as J SC-opa-sim , ν is the optical propagation frequency, q is the charge constant, h is the Planck constant, and c is the propagation speed of light in vacuum.

6. The screening method of a solar cell device based on a high-throughput optical model according to claim 1, wherein: In step S4.2, establishing a high-throughput optical model includes the following steps: S4.1.

1. Read the AM 1.5G standard sunlight spectrum, read the CIE spectral tristimulus values, read the standard light source data for calculating the color rendering index CRI, read the human eye visibility function for calculating the visible light transmittance of the human eye, set the speed of light c = 299792458, set the permittivity ∈0 = 8.854187817×10 -12 , Planck's constant h = 6.62607015×10 -34 , charge constant q = 1.602176565×10 -19 ; S4.1.

2. Set the wavelength range to L, set the active layer, set the calculation step size, set the incident angle θ, set the number of devices to be screened b for one parallel calculation and divide them into several batches, set the thickness change range of each layer of material, generate a list of all thickness combinations using the Cartesian product, and record the thickness of each layer of material as d j ; S4.1.

3. According to the list of all thickness combinations of the device to be screened, initialize the short-circuit current Jsc list, initialize the device efficiency PCE list, initialize the visible light transmittance VLT list, initialize the average visible light transmittance AVT list, initialize the chromaticity coordinate (x, y) list, and initialize the color rendering index CRI list; S4.1.

4. Calculate the amplitude reflectivity r at the incident interface, the exit interface, and the contact interfaces of each layer of material using the Fresnel formula jk and the amplitude transmittance t jk , where the subscript jk represents the interface between the adjacent j-th and k-th layers of material, and calculate: where ξ j is the wave vector of the j-th layer of material, and θ j is the angle of incidence of the j-th layer of material.

Citation Information

Patent Citations

  • Nondestructive testing method and device for irradiation resistance of solar cell

    CN106849873A

  • Semitransparent organic solar cell device with heat insulation and temperature control effects and preparation method thereof

    CN110581220A