Method for predicting the performance of modified layered oxide electrode materials
The modified layered oxide electrode material was tested using positron annihilation lifetime spectroscopy, which solved the problem of complex and error-prone evaluation of the modified material properties in the existing technology. It achieved rapid and accurate prediction of specific capacity and ion migration rate, and reduced testing costs and complexity.
Patent Information
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- CHANGSHA UNIVERSITY OF SCIENCE AND TECHNOLOGY
- Filing Date
- 2025-09-12
- Publication Date
- 2026-07-24
AI Technical Summary
Existing technologies struggle to quickly and accurately assess the specific capacity and ion migration rate of modified layered oxide electrode materials. Furthermore, electrochemical performance testing and material structure characterization methods suffer from high costs, high complexity, large result errors, and the inability to independently evaluate electrode material performance.
Positron annihilation lifetime spectroscopy was used to test unmodified and modified layered oxide electrode material sheets. By calculating the second lifetime length and strength of the modified layered oxide electrode material, its ion capacity and ion transport rate were quickly predicted.
This method enables rapid and accurate evaluation of the properties of modified layered oxide electrode materials, shortens the testing cycle, reduces costs, and improves the accuracy of measurement results, with an error within 6%.
Smart Images

Figure QLYQS_1 
Figure QLYQS_3 
Figure QLYQS_5
Abstract
Description
Technical Field
[0001] This invention relates to a method for predicting the performance of modified layered oxide electrode materials, and more particularly to a method for predicting the capacity and / or ion transport rate of modified layered oxide electrode materials for zinc-ion batteries, belonging to the field of zinc-ion battery performance testing technology. Background Technology
[0002] Layered oxide electrode materials are commonly used cathode materials for zinc-ion batteries. Common layered oxides include layered vanadium oxide and layered manganese oxide, which are composite oxides composed of vanadium (V) or manganese (Mn). Their unique layered crystal structure enables efficient zinc ion insertion and extraction, making them highly promising high-performance cathode materials for zinc-ion batteries, possessing both high specific capacity and excellent stability. The structure of layered oxide electrode materials can be viewed as a stack of two-dimensional plates, with weak van der Waals forces or water molecules maintaining the interlayer structure, forming diffusion channels conducive to ion transport. The interlayer spacing is a key structural parameter of this material, directly affecting its theoretical specific capacity and ion migration rate, thus determining the energy density of the battery. Therefore, controlling the interlayer spacing (such as through modification strategies like ion doping and vacancy induction) has become a hot research direction for optimizing the performance of layered vanadium / manganese oxides. However, evaluating the specific capacity and ion migration rate of modified vanadium / manganese oxides still presents certain challenges.
[0003] Generally, the testing system for evaluating the theoretical specific capacity and ion migration rate mainly includes electrochemical performance testing and material structure characterization.
[0004] Electrochemical performance testing typically requires assembling layered oxide electrode materials as active materials into batteries, half-cells, or electrolytic cells. The battery or half-cell assembly method involves first mixing the layered oxide electrode material with a conductive agent and binder in a specific mass ratio, adding a solvent to form a homogeneous slurry, and then coating it onto a current collector such as titanium foil or carbon cloth. After drying and rolling, a positive electrode sheet is formed. For half-cell assembly, zinc foil is used as both the negative and counter electrodes. A glass fiber or polypropylene separator is typically impregnated with an aqueous electrolyte, and the battery is encapsulated in the following sequence: positive electrode shell - electrode - separator - electrolyte - zinc foil - gasket - negative electrode shell. Full-cell assembly requires a zinc powder / carbon composite negative electrode. Key materials involved in the entire preparation process include active materials, conductive carbon materials, polymer binders, metal current collectors, zinc salt electrolytes, and porous separators. Electrolytic cell testing generally employs a three-electrode method. First, the material to be tested is coated onto a current collector, such as carbon cloth or titanium foil. Then, a working electrode, a counter electrode (inert electrode or zinc sheet), and a reference electrode are used, along with an electrolyte.
[0005] By connecting an external test data cable, the battery, half-cell, or electrolytic cell is placed into the battery or electrochemical measurement system to measure the battery's electrochemical performance, such as charge-discharge cycle testing, battery capacity retention testing, rate performance testing, battery self-discharge testing, electrochemical impedance, overcharge and over-discharge testing, etc., and the capacity and ion migration rate of the electrode material are judged based on the decay of the output data.
[0006] The methods for testing electrochemical performance have the following drawbacks: (1) They require assembly into batteries, half-cells, or electrolytic cells, necessitating a large amount of supporting materials, separate experimental equipment and testing areas, resulting in long testing cycles, high costs, and complexity. (2) Since they require assembly into batteries, half-cells, or electrolytic cells, the material performance is affected to some extent by the assembly steps, leading to certain errors in the measured results. (3) Capacity and ion migration rate cannot be attributed solely to the electrode materials; only the overall capacity and ion migration rate of the battery or electrolytic cell can be measured. (4) Only data can be obtained, making it difficult to determine the intrinsic structural reasons for the lifespan of the electrode materials.
[0007] Material structure characterization methods typically involve testing the conventional physicochemical properties of electrode materials and judging their theoretical specific capacity and ion migration rate based on experience. For example, X-ray diffraction is used to study the interlayer spacing of electrode materials, transmission electron microscopy is used to analyze the microstructure of electrode materials, and Raman spectroscopy is used to detect the phase structure in electrode materials. This method has the following drawbacks: (1) It requires strong professional experience and requires conventional analysis based on general mechanisms by relying on experience and literature review, and it cannot provide direct theoretical specific capacity and ion migration rate data. (2) It can only perform qualitative analysis and cannot perform quantitative analysis. Summary of the Invention
[0008] To address the shortcomings of existing technologies, this invention provides a method for predicting the performance of modified layered oxide electrode materials, enabling rapid prediction of properties such as ion capacity and / or ion transport rate of layered oxide electrode materials.
[0009] To solve the above-mentioned technical problems, the technical solution of the present invention is as follows:
[0010] A method for predicting the performance of modified layered oxide electrode materials includes the following steps:
[0011] S1. Provide unmodified layered oxide electrode material;
[0012] Provide modified layered oxide electrode materials;
[0013] S2. Press the unmodified layered oxide electrode material and the modified layered oxide electrode material into sheets under the same pressure to obtain unmodified layered oxide electrode material sheets and modified layered oxide electrode material sheets.
[0014] S3. Perform positron annihilation lifetime spectroscopy tests and spectral analysis on both the unmodified and modified layered oxide electrode material sheets to obtain the length T of the first lifetime of the modified layered oxide electrode material sheet. A1 Intensity I of the first lifetime A1 The length of the second lifetime, T A2 Intensity I of the second lifetime A2 And the length T of the first lifetime of the unmodified layered oxide electrode material sheet. X1 Intensity I of the first lifetime X1 The length of the second lifetime, T X2 Intensity I of the second lifetime X2 ;
[0015] S4. Calculate the ion capacity and / or ion transport rate of the modified layered oxide electrode material;
[0016] Among them, the ion capacity of the modified layered oxide electrode material C X J represents the theoretical ion capacity of the unmodified layered oxide electrode material, where J is a constant.
[0017] Ion transport rate of modified layered oxide electrode materials D X The theoretical ion transport rate is for the unmodified layered oxide electrode material.
[0018] The theoretical ion capacity and theoretical ion transport rate of unmodified layered oxide electrode materials can be found in the literature.
[0019] Therefore, the ion capacity and / or ion transport rate of the modified layered oxide electrode material can be calculated simply and quickly by pressing the tablet, performing positron annihilation lifetime spectroscopy testing, and interpreting the spectrum.
[0020] Positron annihilation is a technique for probing the internal structure of materials, belonging to the application of low-energy nuclear physics. Positrons, being the antimatter of electrons, readily diffuse into condensed matter and annihilate at locations such as vacancy defects, nanopores, free volumes, special nanoclusters, and grain boundary defects. The annihilation characteristics are closely related to the size, density, electron cloud, and chemical environment of the captured site. Positron annihilation can detect depths down to 1 millimeter, thus it is widely used to probe internal defects and microstructures in materials. The spectral results include a number of annihilation lifetimes and corresponding annihilation intensities. Generally, each lifetime and intensity pair reflects the size and relative density of a specific type of vacancy in the sample, with different lifetime and intensity pairs reflecting the size and relative density of different types of vacancies.
[0021] Ion capacity is primarily determined by the length (T2) of the second lifetime of modified and unmodified layered oxide electrode materials. Ion transport rate in layered materials is primarily determined by the length (T2) and intensity (I2) of the second lifetime of modified and unmodified layered oxide electrode materials. The possible mechanisms are as follows: the second lifetime of positron annihilation mainly reflects the size and concentration of vacancy clusters in the material, and for layered oxide electrode materials, it characterizes the size and concentration of interlayer vacancies. Zinc ion adsorption and desorption depend on interlayer spacing; therefore, the size and total amount of interlayer vacancies largely determine the zinc ion capacity in the material. Similarly, according to the vacancy theory of ion transport, interlayer transport of zinc ions is closely related to interlayer spacing, and the size of interlayer vacancies largely determines the zinc ion transport rate in the material.
[0022] Furthermore, the layered oxide electrode material includes one or more of layered vanadium oxide electrode materials and layered manganese oxide electrode materials; the layered vanadium oxide electrode material includes Na2V6O. 16 One or more of ·3H2O, V2O5, H2V3O8, NaV3O8·nH2O, and CaV4O9; preferably, the layered manganese oxide electrode material includes one or more of MnOOH, MnO2, and MnV2O6.
[0023] Furthermore, the modified layered oxide electrode material is obtained from the unmodified layered oxide electrode material through doping modification (by introducing heterogeneous elements to regulate the electronic structure and crystal environment of the material, thereby improving electrochemical performance), intercalation modification (by using ions or molecules to intercalate between layers to expand the spacing or improve diffusion kinetics and enhance ion transport capability), vacancy-induced modification (by creating atomic vacancy defects to regulate the local coordination environment and reactivity, promoting charge storage and transport), or stress modification (by using internal or external stress to change lattice parameters and phase structure to optimize the mechanical stability and electrochemical behavior of the material). Among these, doping modification is ion or molecular doping modification, and intercalation modification is water molecule or organic molecule intercalation modification.
[0024] Optionally, doping modification includes intercalation modification.
[0025] Furthermore, the modified layered oxide electrode material is obtained by modifying the unmodified layered oxide electrode material with iodine doping.
[0026] Optionally, the modified layered oxide electrode material is prepared as follows: Na2V6O 16• 3H2O powder, iodine, and water are mixed evenly in a ratio of 400-500mg: 5-60mg: 40-60mL, and treated at 100-140℃ for 20-28h. The residue is then vacuum dried at 75-85℃ for 5-7h to obtain the modified layered oxide electrode material.
[0027] Optionally, the modified layered oxide electrode material is prepared as follows: KMnO4 is mixed with water at a ratio of 0.5-0.8 g: 35-45 mL to obtain solution 1; MnSO4·H2O is mixed with water at a ratio of 0.2-0.5 g: 15-25 mL to obtain solution 2; then solutions 1 and 2 are mixed at a volume ratio of 1.5-2.5:1, and water-soluble potassium salt is added and stirred evenly; then, after reacting at 110-130℃ for 10-14 hours, the mixture is cooled, the solid and liquid are separated, and dried to obtain KMnO4·H2O ... + Intercalated δ-MnO2 black powder; wherein the amount of water-soluble potassium salt added is 0.15-0.28 times the mass of KMnO4 in the added solution 1. Optionally, the water-soluble potassium salt is one or more of potassium chloride, potassium nitrate, and potassium sulfate.
[0028] Furthermore, in S2, the pressure is less than 10 MPa.
[0029] Furthermore, in S3, Optionally, Optionally, Optionally, The basic layer structure of modified layered oxide electrode materials is generally highly similar to that of unmodified layered oxide electrode materials, and the difference rate between their first lifetime and second lifetime is generally within 20%.
[0030] Optionally, the first lifetime has a length of 100-250Ps, and the second lifetime has a length of 250-600Ps.
[0031] Furthermore, in S3, during spectrum interpretation, either 2-lifetime or 3-lifetime interpretation is performed. When performing 3-lifetime interpretation, the length T of the third lifetime is further obtained. A3 The intensity of the third lifespan I A3 .
[0032] Optionally, the spectral interpretation process (general positron annihilation lifetime spectral interpretation method, see the spectral interpretation software download page: https: / / palsfit.dk / ) subtracts the annihilation lifetime of the positrons in the radiation source itself.
[0033] Optionally, both the unmodified layered oxide electrode material sheet and the modified layered oxide electrode material sheet are in the shape of a disc with a diameter of 0.5-2 cm, or more specifically 0.8-1.5 cm.
[0034] Furthermore, in S4, 12Ps≤J≤16Ps.
[0035] Furthermore, J = 14Ps.
[0036] The performance prediction method of this invention is simple, efficient, and the predicted results are highly accurate, with a difference rate of less than 6% compared to the measurement results obtained by electrochemical performance testing methods. This helps to shorten the testing cycle of electrode material related performance and reduce measurement costs. Detailed Implementation
[0037] The present invention will be described in detail below with reference to embodiments. It should be noted that, unless otherwise specified, the embodiments and features in the embodiments of the present invention can be combined with each other.
[0038] Example 1
[0039] Rapid prediction of 10mg iodine atom-controlled cathode material Na2V6O 16 The ion capacity and ion transport rate of (INVO-10). Na2V6O 16 • 3H₂O (NVO) was synthesized in a one-step process: First, 4 mmol of vanadium pentoxide and 0.1 mol of sodium sulfate were dispersed in 100 mL of deionized water. The mixture was stirred for more than 96 hours until a precipitate formed. The product was washed with distilled water and ethanol to remove impurities and then vacuum dried at 80 °C for 24 hours to obtain a deep red NVO powder. To prepare iodine-doped NVO (INVO-10), 450 mg of the prepared NVO powder and 10 mg of iodine were dispersed in 50 mL of deionized water and allowed to stand at 120 °C for 24 hours. The residue was vacuum dried at 80 °C for 6 hours to obtain a reddish-brown INVO-10 powder.
[0040] NVO (unmodified layered oxide electrode material) and INVO-10 (modified layered oxide electrode material) were pressed into wafers (circular wafers 1 cm in diameter and 1 mm thick) under the same pressure of 8 MPa. Positron annihilation lifetime spectra of the resulting NVO and INVO-10 wafers were measured (TechnoAP APV8702, Japan) and the spectra were interpreted according to a 2-lifetime method. Table 1 shows the positron annihilation test results for NVO and INVO-10.
[0041] Table 1
[0042]
[0043] Based on their positron annihilation lifetime spectral data, their basic layered structures still exhibit high similarity: the difference between their T1 and T2 lifetime length components is <20%, and the difference between their I1 and I2 lifetime intensity components is <20%. Therefore, this method can be used to measure ion capacity and ion transport rate.
[0044] Calculate ion capacity and ion transport rate using the following formulas:
[0045] 1. The ionic capacity of INVO-10 can be calculated as follows:
[0046]
[0047] 2. The zinc ion transport rate of INVO-10 is:
[0048]
[0049] INVO-10 was mixed with a conductive agent (conductive carbon black) and a binder (PVDF) at a mass ratio of 8:1:1, and a solvent (NMP) was added to prepare a uniform slurry (solid content approximately 80 wt%). This slurry was then coated onto a carbon cloth current collector, dried, and rolled to form the positive electrode sheet. Zinc foil was used as the negative and counter electrodes, and a polypropylene separator was impregnated with an aqueous electrolyte. The battery was packaged in the following order: positive electrode shell - positive electrode sheet - separator - electrolyte - zinc foil - gasket - negative electrode shell. The experimental specific capacity (0.5 A / g rate condition) of INVO-10, tested on a battery testing platform (Newway, 5V 20mA, China), was 283.9 mAh / g. The actual zinc ion transport rate of INVO-10, measured by electrochemical impedance spectroscopy, was 4.6 × 10⁻⁶. -11 cm 2 / s. It is evident that the ion capacity and ion transport rate data predicted by this invention are reliable and highly accurate.
[0050] Example 2
[0051] Rapid prediction of 30mg iodine atom-controlled cathode material Na2V6O 16 (INVO-30) ion capacity and ion transport rate. Na2V6O 16• 3H₂O (NVO) was synthesized in a one-step process: First, 4 mmol of vanadium pentoxide and 0.1 mol of sodium sulfate were dispersed in 100 mL of deionized water. The mixture was stirred for more than 96 hours until a precipitate formed. The product was washed with distilled water and ethanol to remove impurities and then vacuum dried at 80 °C for 24 hours to obtain a deep red NVO powder. To prepare iodine-doped NVO (INVO), 450 mg of the prepared NVO powder and 30 mg of iodine were dispersed in 50 mL of deionized water and allowed to stand at 120 °C for 24 hours. The residue was vacuum dried at 80 °C for 6 hours to obtain a reddish-brown INVO-30 powder.
[0052] NVO and INVO-30 materials were pressed into wafers (1 cm diameter, 1 mm thickness) under the same pressure of 8 MPa. Positron annihilation lifetime spectra were performed on the resulting NVO and INVO-30 wafers (TechnoAP APV8702, Japan), and the spectra were interpreted according to a 2-lifetime distribution. Table 2 shows the positron annihilation test results for NVO and INVO-30.
[0053] Table 2
[0054]
[0055] Based on their positron annihilation lifetime spectral data, their basic layered structures still exhibit high similarity: the difference between their T1 and T2 lifetime length components is <20%, and the difference between their I1 and I2 lifetime intensity components is <20%. Therefore, ion capacity and ion transport rate can be measured using the method of this invention.
[0056] Calculate ion capacity and ion transport rate using the following formulas:
[0057] 1. The ion capacity of INVO-30 can be calculated as follows:
[0058]
[0059] 2. The zinc ion transport rate of INVO-30 can be calculated as follows:
[0060]
[0061] INVO-30 was mixed with a conductive agent (conductive carbon black) and a binder (PVDF) at a mass ratio of 8:1:1, and a solvent (NMP) was added to prepare a uniform slurry (solid content approximately 80 wt%). This slurry was then coated onto a carbon cloth current collector, dried, and rolled to form the positive electrode sheet. Zinc foil was used as the negative and counter electrodes, and a polypropylene separator was impregnated with an aqueous electrolyte. The battery was packaged in the following order: positive electrode shell - positive electrode sheet - separator - electrolyte - zinc foil - gasket - negative electrode shell. The experimental specific capacity (0.5 A / g rate condition) of INVO-30, tested on a battery testing platform (Newway, 5V 20mA, China), was 436.6 mAh / g. The actual zinc ion transport rate of INVO-30, measured by electrochemical impedance spectroscopy, was 1.8 × 10⁻⁶. -10 cm 2 / s. It is evident that the ion capacity and ion transport rate data predicted by the method of this invention are reliable and highly accurate.
[0062] Example 3
[0063] Rapid prediction of 50mg iodine atom-controlled cathode material Na2V6O 16 (INVO-50) ion capacity and ion transport rate. Na2V6O 16 • 3H₂O (NVO) was synthesized in a one-step process: First, 4 mmol of vanadium pentoxide and 0.1 mol of sodium sulfate were dispersed in 100 mL of deionized water to obtain a mixture. The mixture was stirred for more than 96 hours until a precipitate formed, and the solid and liquid phases were separated to obtain the product. The product was washed with distilled water and ethanol to remove impurities and then vacuum dried at 80 °C for 24 hours to obtain a deep red NVO powder. To prepare iodine-doped NVO (INVO), 450 mg of the prepared NVO powder and 50 mg of iodine were dispersed in 50 mL of deionized water and allowed to stand at 120 °C for 24 hours. The residue was vacuum dried at 80 °C for 6 hours to obtain a reddish-brown INVO-50 powder.
[0064] NVO and INVO-50 materials were pressed into discs (1 cm diameter, 1 mm thickness) under the same pressure of 8 MPa. Positron annihilation lifetime spectra were performed on the resulting NVO and INVO-50 discs (TechnoAP APV8702, Japan), and the spectra were interpreted according to a 2-lifetime distribution. Table 3 shows the positron annihilation test results for NVO and INVO-50.
[0065] Table 3
[0066]
[0067]
[0068] Based on their positron annihilation lifetime spectra, their basic layered structures still exhibit high similarity: the differences in T1 and T2 lifetime length components are <20%, and the differences in I1 and I2 lifetime intensity components are <20%. Therefore, this method can be used to measure ion capacity and ion transport rate.
[0069] Calculate ion capacity and ion transport rate using the following formulas:
[0070] 1. The ion capacity of INVO-50 can be calculated as follows:
[0071]
[0072] 2. The zinc ion transport rate of INVO-50 can be calculated as follows:
[0073]
[0074] INVO-50 was mixed with a conductive agent (conductive carbon black) and a binder (PVDF) at a mass ratio of 8:1:1, and a solvent (NMP) was added to prepare a uniform slurry (solid content approximately 80 wt%). This slurry was then coated onto a carbon cloth current collector, dried, and rolled to form the positive electrode sheet. Zinc foil was used as the negative and counter electrodes, and a polypropylene separator was impregnated with an aqueous electrolyte. The battery was packaged in the following order: positive electrode shell - positive electrode sheet - separator - electrolyte - zinc foil - gasket - negative electrode shell. The experimental specific capacity (0.5 A / g rate condition) of INVO-50, tested on a battery testing platform (Newway, 5V 20mA, China), was 509.9 mAh / g. The actual zinc ion transport rate of INVO-50, measured by electrochemical impedance spectroscopy, was 3.3 × 10⁻⁶. -10 cm 2 / s. It is evident that the ion capacity and ion transport rate data obtained through the prediction method of this invention are reliable and highly accurate.
[0075] Example 4
[0076] Rapid prediction of potassium ion regulation of δ-MnO2 (KMO) ion capacity and ion transport rate. Dissolve 0.632 g KMnO4 in 40 mL deionized water. Dissolve 0.338 g MnSO4·H2O in 20 mL deionized water. Titrate the two solutions together and add 0.15 g KCl, stirring magnetically for 30 minutes. Then, transfer the mixture to a reaction vessel and react at 120 °C for 12 hours. After the reaction is complete, allow to cool naturally, centrifuge to collect the precipitate, and obtain KCl. + Intercalated δ-MnO2 black powder (KMO).
[0077] δ-MnO2 and KMO materials were pressed into discs (1 cm in diameter, 1 mm thick) under a uniform pressure of 8 MPa. Positron annihilation lifetime spectra were performed on the δ-MnO2 and KMO discs (Techno APAPV8702, Japan), and the spectra were interpreted according to a 2-lifetime distribution. Table 4 shows the positron annihilation test results for δ-MnO2 and KMO.
[0078] Table 4
[0079]
[0080] Based on their positron annihilation lifetime spectral data, their basic layered structures still exhibit high similarity: the difference between their T1 and T2 lifetime length components is <20%, and the difference between their I1 and I2 lifetime intensity components is <20%. Therefore, this method can be used to measure ion capacity and ion transport rate.
[0081] Substituting the semi-empirical formula proposed in this patent, we can draw the following conclusions:
[0082] 1. The ionic capacity of KMO can be calculated as follows:
[0083]
[0084] 3. The zinc ion transport rate of KMOD can be calculated as follows:
[0085]
[0086] KMO was mixed with a conductive agent (conductive carbon black) and a binder (PVDF) at a mass ratio of 8:1:1, and a solvent (NMP) was added to prepare a homogeneous slurry (solid content approximately 80 wt%). This slurry was then coated onto a carbon cloth current collector, dried, and rolled to form the positive electrode sheet. Zinc foil was used as the negative and counter electrodes, and a polypropylene separator was impregnated with an aqueous electrolyte. The battery was packaged in the following order: positive electrode shell - electrode - separator - electrolyte - zinc foil - gasket - negative electrode shell. Subsequent battery testing on a battery testing platform (Sinway, 5V 20mA, China) yielded an experimental specific capacity of 207.5 mAh / g (0.5 A / g rate condition); subsequent electrochemical impedance spectroscopy testing of KMO yielded an actual zinc ion transport rate of 4.0 × 10⁻⁶. -9 cm 2 / s. It is evident that the ion capacity and ion transport rate data obtained by this method are reliable and highly accurate.
[0087] The above embodiments should be understood as being used only to illustrate the present invention more clearly, and not to limit the scope of the present invention. After reading the present invention, any modifications of the present invention in various equivalent forms by those skilled in the art fall within the scope defined by the appended claims.
Claims
1. A method for predicting the performance of modified layered oxide electrode materials, characterized in that, Includes the following steps: S1. Provide unmodified layered oxide electrode material; Provide modified layered oxide electrode materials; S2. Press the unmodified layered oxide electrode material and the modified layered oxide electrode material into sheets under the same pressure to obtain unmodified layered oxide electrode material sheets and modified layered oxide electrode material sheets. S3. Perform positron annihilation lifetime spectroscopy tests and spectral analysis on both the unmodified and modified layered oxide electrode material sheets to obtain the length T of the first lifetime of the modified layered oxide electrode material sheet. A1 Intensity I of the first lifetime A1 The length of the second lifetime, T A2 Intensity I of the second lifetime A2 And the length T of the first lifetime of the unmodified layered oxide electrode material sheet. X1 Intensity I of the first lifetime X1 The length of the second lifetime, T X2 Intensity I of the second lifetime X2 ; S4. Calculate the ion capacity and / or ion transport rate of the modified layered oxide electrode material; Among them, the ion capacity of the modified layered oxide electrode material , The theoretical ion capacity of the unmodified layered oxide electrode material. J As a constant, 12 Ps≤ J ≤16 Ps; Ion transport rate of modified layered oxide electrode materials , The theoretical ion transport rate is for the unmodified layered oxide electrode material.
2. The performance prediction method according to claim 1, characterized in that, Layered oxide electrode materials include one or more of layered vanadium oxide electrode materials and layered manganese oxide electrode materials.
3. The performance prediction method according to claim 2, characterized in that, The layered vanadium oxide electrode material includes Na2V6O 16 One or more of ·3H2O, V2O5, H2V3O8, NaV3O8·nH2O, and CaV4O9; the layered manganese oxide electrode material includes one or more of MnOOH, MnO2, and MnV2O6.
4. The performance prediction method according to claim 1, characterized in that, The modified layered oxide electrode material is obtained from the unmodified layered oxide electrode material through doping modification, embedding modification, vacancy-induced modification, or stress modification. Among them, doping modification is ionic or molecular doping modification, and embedding modification is water molecule or organic molecule embedding modification.
5. The performance prediction method according to claim 1, characterized in that, The modified layered oxide electrode material is obtained by iodine doping modification of the unmodified layered oxide electrode material.
6. The performance prediction method according to any one of claims 1-5, characterized in that, In S2, the pressure is less than 10 MPa.
7. The performance prediction method according to any one of claims 1-5, characterized in that, In S3, ×100% < 20%; And / or, ×100% < 20%; And / or, ×100% < 20%; And / or, ×100% < 20%.
8. The performance prediction method according to any one of claims 1-5, characterized in that, In S3, during spectrum interpretation, either lifetime 2 or lifetime 3 is used.
9. The performance prediction method according to claim 1, characterized in that, J =14Ps。
Citation Information
Patent Citations
Method for predicting capacity of all-solid-state polymer electrolyte lithium battery in physical aging process
CN111766527A
Aluminum hydroxide content detection method based on positron annihilation life strength
CN118329946A