High-lithium-philicity Cu2O material, screening method and application

Highly lithiophilic Cu2O materials were screened using liquid-phase reduction and theoretical calculations, solving the problem of the influence of different crystal orientations on lithium deposition and improving the cycle performance and safety of lithium metal batteries.

CN121990602APending Publication Date: 2026-05-08PETROCHINA CO LTD
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Patent Information

Authority / Receiving Office
CN · China
Patent Type
Applications(China)
Current Assignee / Owner
PETROCHINA CO LTD
Filing Date
2024-11-01
Publication Date
2026-05-08

AI Technical Summary

Technical Problem

The existing technology lacks research on the effects of Cu2O materials with different crystal orientations on lithium deposition and electrochemical performance, which leads to uneven lithium dendrite growth and affects the cycle performance and safety of lithium metal batteries.

Method used

Cu2O materials with different crystal orientations were prepared by adjusting the concentration of the precipitant solution using liquid-phase reduction. The crystal face with the strongest binding energy was selected by density functional theory calculations, and highly lithiophilic Cu2O materials were prepared and applied to lithium metal batteries.

Benefits of technology

The screening method effectively controlled lithium dendrite growth, improving the cycle stability and safety of lithium metal batteries. The effectiveness of the screening method was verified by electrochemical testing.

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Abstract

The invention discloses a high-lithium-affinity Cu2O material, a screening method and application, and relates to the technical field of electrode materials. Comprising the following steps: taking a copper source, an alkaline precipitator and a reducing agent as raw materials, adopting a liquid phase reduction method, inducing growth of different crystal faces by changing the concentration of a precipitator solution, preparing Cu2O materials with different crystal face orientations, adopting a density functional theory for simulation, calculating binding energy of different crystal faces of the prepared Cu2O materials and a single lithium atom, and calculating the lithium atom binding energy of the single lithium atom. The crystal face with the strongest binding energy is screened out, so that the Cu2O material with the high lithium affinity is obtained through screening; according to the method, growth of different crystal faces is induced by regulating and controlling the concentration of a precipitant solution, Cu2O materials with different crystal face orientations are prepared, the optimal crystal face orientation is screened out by combining theoretical calculation, and therefore the high-lithium-affinity Cu2O material is obtained through screening, and it is proved through electrochemical test empirical analysis that the screening method is correct and effective.
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Description

Technical Field

[0001] This invention relates to the field of electrode materials technology, specifically to a highly lithiophilic Cu2O material, its screening method, and its applications. Background Technology

[0002] Lithium metal batteries, as the highest energy density batteries, have shown enormous development potential in portable electronic devices, electric vehicles, and energy storage systems. Their charging capabilities are expected to surpass those of the most advanced lithium-ion batteries currently available, potentially doubling their energy density. However, during charging and discharging, the irregular electrodeposition of highly reactive lithium atoms on the negative electrode side of lithium metal batteries can lead to uncontrolled lithium dendrite growth, resulting in safety risks such as lower cycle performance and thermal runaway. These risks severely hinder their application in actual production.

[0003] The growth process of lithium dendrites mainly consists of three stages: SEI film formation, lithium dendrite nucleation, and lithium dendrite growth. Introducing lithiophilic materials onto the current collector and controlling the lithiophilicity of the negative electrode interface and the uniformity of nucleation sites is one of the important means to suppress uneven lithium dendrite growth. Lithium nucleation and growth are essentially an electrocrystallization process; therefore, the crystal orientation of the lithiophilic material is a key factor affecting the final morphology of lithium dendrites. Different morphologies result in different lithiophilicities, thus affecting the cycle stability of lithium metal batteries.

[0004] There are no existing reports on the influence of the same material with specific crystal orientation on lithium deposition and electrochemical performance of the negative electrode lithiophilic material by screening Cu2O materials with specific crystal orientations. Summary of the Invention

[0005] This invention addresses the technical problem of screening Cu2O materials with high lithiophilicity due to differences in lithiophilicity caused by different crystal orientations of the same lithiophilic material. The aim is to provide a high lithiophilic Cu2O material, a screening method, and its application. By controlling the concentration of the precipitant solution to induce the growth of different crystal faces, Cu2O materials with different crystal orientations were prepared. The optimal crystal orientation was screened using theoretical calculations, thus obtaining a high lithiophilic Cu2O material. Electrochemical testing and empirical analysis proved the correctness and effectiveness of the screening method. This invention provides guidance for further exploring the differences in the lithiophilicity and electrochemical performance of the same material with different crystal orientations towards lithium metal anodes.

[0006] This invention is achieved through the following technical solution:

[0007] The first objective of this invention is to provide a method for screening highly lithiophilic Cu2O materials, comprising the following steps:

[0008] Using copper source, alkaline precipitant, and reducing agent as raw materials, a liquid-phase reduction method was adopted. By changing the concentration of the precipitant solution, the growth of different crystal planes was induced, and Cu2O materials with different crystal orientations were prepared. Density functional theory was used to simulate and calculate the binding energy between different crystal planes of the prepared Cu2O materials and a single lithium atom. The crystal plane with the strongest binding energy was screened out. In the prepared Cu2O materials, the larger the area of ​​the crystal plane with the strongest binding energy, the stronger the lithiophilicity of the Cu2O material. Thus, a Cu2O material with high lithiophilicity was obtained.

[0009] Furthermore, the preparation method of the Cu2O material includes:

[0010] Using copper sulfate pentahydrate as the copper source, prepare an aqueous solution of copper sulfate pentahydrate with a concentration of 0.01 mol / L, place it on a heating platform at a temperature of 40-80℃ and stir for 10-30 min;

[0011] Add a precipitant solution with a concentration of 1-10 mol / L to the solution obtained in the previous step, stir continuously and evenly, the reaction temperature is 40-80℃, and the stirring time is 5-30 min;

[0012] Add a reducing agent solution with a concentration of 0.1-1 mol / L to the solution obtained in the previous step, stir continuously and uniformly, the reaction temperature is 40-80℃, and the stirring time is 0.5-2h;

[0013] The precipitate after the reaction was separated, washed 2-3 times with deionized water, collected, and vacuum dried to obtain Cu2O material.

[0014] Furthermore, the precipitant is sodium hydroxide or potassium hydroxide.

[0015] Furthermore, the reducing agent is any one of ascorbic acid, glucose, and hydrazine hydrate.

[0016] Furthermore, the crystal planes of the prepared Cu2O material include (100) crystal plane, (110) crystal plane, (111) crystal plane and (522) crystal plane.

[0017] Furthermore, the formula for calculating the binding energy is:

[0018] E b =E Li / slab -[E slab +E Li ]

[0019] Among them, E Li / slab E represents the total energy of a lithium atom under the equilibrium geometry of the surface. slab E represents the total energy of the bare surface. Li E represents the total energy of free lithium atoms.b It represents the binding energy.

[0020] The second objective of this invention is to provide a highly lithiophilic Cu2O material obtained by the aforementioned method. The obtained highly lithiophilic Cu2O material has a hexahedral structure, and all six faces are (100) crystal planes.

[0021] Furthermore, the preparation method of the highly lithiophilic Cu2O material is as follows:

[0022] Using copper sulfate pentahydrate as the copper source, prepare an aqueous solution of copper sulfate pentahydrate with a concentration of 0.01 mol / L, place it on a heating platform at a temperature of 40-80℃ and stir for 10-30 min;

[0023] Add a precipitant solution with a concentration of 1.5 mol / L to the solution obtained in the previous step, stir continuously and evenly, the reaction temperature is 40-80℃, and the stirring time is 5-30 min;

[0024] Add a reducing agent solution with a concentration of 0.1 mol / L to the solution obtained in the previous step, stir continuously and uniformly, the reaction temperature is 40-80℃, and the stirring time is 0.5-2h;

[0025] The precipitate after the reaction was separated, washed 2-3 times with deionized water, collected, and vacuum dried to obtain a highly lithiophilic Cu2O material.

[0026] A third objective of this invention is to provide a current collector prepared by coating the aforementioned highly lithiophilic Cu2O material onto a copper foil.

[0027] A fourth object of the present invention is to provide a lithium metal battery, including the aforementioned current collector.

[0028] Compared with the prior art, the present invention has the following advantages and beneficial effects:

[0029] This invention employs a liquid-phase reduction method to induce the growth of different crystal planes by varying the concentration of the precipitant solution, thereby preparing Cu2O materials with different crystal orientations. The optimal crystal orientation is then selected based on theoretical calculations, resulting in highly lithium-affinity Cu2O materials. Empirical analysis through electrochemical testing demonstrates the correctness and effectiveness of this screening method. This invention provides guidance for further exploring the differences in lithium metal anode affinity and electrochemical performance of the same material with different crystal orientations. Attached Figure Description

[0030] To more clearly illustrate the technical solutions of the exemplary embodiments of the present invention, the accompanying drawings used in the embodiments will be briefly described below. It should be understood that the following drawings only show some embodiments of the present invention and should not be considered as a limitation of the scope. For those skilled in the art, other related drawings can be obtained based on these drawings without creative effort. In the drawings:

[0031] Figure 1 The images show the morphology of Cu2O materials prepared in Examples 1-3, where a and d are SEM images of Cu2O prepared in Example 1 at different magnifications, b and e are SEM images of Cu2O prepared in Example 2 at different magnifications, and c and f are SEM images of Cu2O prepared in Example 3 at different magnifications.

[0032] Figure 2 The diagram shows the calculated binding energy of different crystal planes with a single lithium atom. In the diagram, a is the binding energy of the (100) plane with a single lithium atom, b is the binding energy of the (110) plane with a single lithium atom, c is the binding energy of the (111) plane with a single lithium atom, and d is the binding energy of the (522) plane with a single lithium atom.

[0033] Figure 3 Time-voltage test curves of symmetrical cells assembled with Cu2O of three different morphologies are shown. Among them, a, b, and c are time-voltage test curves of symmetrical cells assembled with Cu2O prepared in Example 1, d, e, and f are time-voltage test curves of symmetrical cells assembled with Cu2O prepared in Example 2, and g, h, and i are time-voltage test curves of symmetrical cells assembled with Cu2O prepared in Example 3.

[0034] Figure 4 The cycling performance of three full cells assembled with Cu2O of different morphologies at 0.5C is shown in Figure a, where a is the cycling performance of the full cell assembled with Cu2O prepared in Example 1 at 0.5C, b is the cycling performance of the full cell assembled with Cu2O prepared in Example 2 at 0.5C, and c is the cycling performance of the full cell assembled with Cu2O prepared in Example 3 at 0.5C. Detailed Implementation

[0035] To make the objectives, technical solutions, and advantages of the present invention clearer, the technical solutions in the embodiments of the present invention will be clearly and completely described below with reference to the accompanying drawings. Obviously, the illustrative embodiments and descriptions of the present invention are only used to explain the present invention and are not intended to limit the present invention.

[0036] The following detailed description, with appropriate reference to the accompanying drawings, illustrates embodiments of a highly lithiophilic Cu2O material, screening method, and application of the present invention. However, unnecessary details may be omitted. For example, detailed descriptions of well-known matters and repetitive descriptions may be omitted. This is to avoid unnecessarily lengthy descriptions and to facilitate understanding by those skilled in the art.

[0037] The "range" disclosed in this application is defined by a lower limit and an upper limit. A given range is defined by selecting a lower limit and an upper limit, which define the boundaries of the particular range. The range defined in this way can include or exclude endpoints and can be arbitrarily combined; that is, any lower limit can be combined with any upper limit to form a range.

[0038] Unless otherwise specified, all embodiments and optional embodiments of this application can be combined to form new technical solutions.

[0039] Unless otherwise specified, all technical features and optional technical features of this application may be combined to form new technical solutions.

[0040] Unless otherwise specified, the terms "comprising" and "including" as used in this application can be open-ended or closed-ended. For example, "comprising" and "including" can mean that other substances not listed may also be included, or that only the listed substances may be included.

[0041] Unless otherwise specified, all steps of this application may be performed sequentially or randomly, but sequentially is preferred.

[0042] The technical solution of this invention is to provide a method for screening highly lithiophilic Cu2O materials, comprising the following steps:

[0043] Using copper source, alkaline precipitant, and reducing agent as raw materials, a liquid-phase reduction method was adopted. By changing the concentration of the precipitant solution, the growth of different crystal planes was induced, and Cu2O materials with different crystal orientations were prepared. Density functional theory was used to simulate and calculate the binding energy between different crystal planes of the prepared Cu2O materials and a single lithium atom. The crystal plane with the strongest binding energy was screened out. In the prepared Cu2O materials, the larger the area of ​​the crystal plane with the strongest binding energy, the stronger the lithiophilicity of the Cu2O material. Thus, a Cu2O material with high lithiophilicity was obtained.

[0044] This invention employs a liquid-phase reduction method to induce the growth of different crystal planes by varying the concentration of the precipitant solution, thereby preparing Cu2O materials with different crystal orientations. The optimal crystal orientation is then selected based on theoretical calculations, resulting in highly lithium-affinity Cu2O materials. Empirical analysis through electrochemical testing demonstrates the correctness and effectiveness of this screening method. This invention provides guidance for further exploring the differences in lithium metal anode affinity and electrochemical performance of the same material with different crystal orientations.

[0045] Preferably, the method for preparing the Cu2O material includes:

[0046] Using copper sulfate pentahydrate as the copper source, prepare an aqueous solution of copper sulfate pentahydrate with a concentration of 0.01 mol / L, place it on a heating platform at a temperature of 40-80℃ and stir for 10-30 min;

[0047] Add a precipitant solution with a concentration of 1-10 mol / L to the solution obtained in the previous step, stir continuously and evenly, the reaction temperature is 40-80℃, and the stirring time is 5-30 min;

[0048] Add a reducing agent solution with a concentration of 0.1-1 mol / L to the solution obtained in the previous step, stir continuously and uniformly, the reaction temperature is 40-80℃, and the stirring time is 0.5-2h;

[0049] The precipitate after the reaction was separated, washed 2-3 times with deionized water, collected, and vacuum dried to obtain Cu2O material.

[0050] In the preparation of Cu2O materials, the growth of different crystal planes can be induced by adjusting the concentration of the precipitant solution, thereby preparing Cu2O materials with different crystal orientations. The crystal planes of the prepared Cu2O materials under different precipitant solution concentrations include (100) crystal plane, (110) crystal plane, (111) crystal plane and (522) crystal plane.

[0051] Preferably, the precipitant is sodium hydroxide or potassium hydroxide. The reducing agent is any one of ascorbic acid, glucose, and hydrazine hydrate.

[0052] Preferably, the formula for calculating the binding energy is:

[0053] E b =E Li / slab -[E slab +E Li ]

[0054] Among them, E Li / slab E represents the total energy of a lithium atom under the equilibrium geometry of the surface. slab E represents the total energy of the bare surface. LiE represents the total energy of free lithium atoms. b E represents the binding energy. b The more negative the value, the stronger the binding energy. The strength of the binding energy reflects the strength of the affinity.

[0055] All calculations were performed using a plane-wave-based periodic DFT method implemented in the Vienna Ab InitioSimulation Package (VASP). Electron-ion interactions were described using the projector augmented wave (PAW) method. Electron exchange energy and correlation energy were handled using the generalized gradient approximation method in the Perdew-Burke-Ernzerhof function (GGA-PBE). The plane-wave basis was set to 500 eV.

[0056] Based on the aforementioned screening method, this invention obtains a highly lithiophilic Cu2O material. The screened highly lithiophilic Cu2O material has a hexahedral structure, and all six faces are (100) crystal planes. The preparation method of the highly lithiophilic Cu2O material is as follows:

[0057] Using copper sulfate pentahydrate as the copper source, prepare an aqueous solution of copper sulfate pentahydrate with a concentration of 0.01 mol / L, place it on a heating platform at a temperature of 40-80℃ and stir for 10-30 min;

[0058] Add a precipitant solution with a concentration of 1.5 mol / L to the solution obtained in the previous step, stir continuously and evenly, the reaction temperature is 40-80℃, and the stirring time is 5-30 min;

[0059] Add a reducing agent solution with a concentration of 0.1 mol / L to the solution obtained in the previous step, stir continuously and uniformly, the reaction temperature is 40-80℃, and the stirring time is 0.5-2h;

[0060] The precipitate after the reaction was separated, washed 2-3 times with deionized water, collected, and vacuum dried to obtain a highly lithiophilic Cu2O material.

[0061] This invention screens out Cu2O materials with highly lithiophilic crystal planes, which are used in lithium metal batteries.

[0062] A current collector is prepared by coating a copper foil with the highly lithiophilic Cu2O material selected in this invention, and the current collector is used to prepare lithium metal batteries.

[0063] The technical solution of the present invention will be further described in detail below with reference to the embodiments.

[0064] It should be noted that, unless otherwise specified, the experimental methods used in the embodiments are conventional methods. Unless otherwise specified, the materials, reagents, methods, and instruments used are all conventional materials, reagents, methods, and instruments in the art, and can be obtained commercially by those skilled in the art.

[0065] Example 1

[0066] Preparation of 1.5-Cu2O

[0067] 500 mL of 0.01 M copper sulfate pentahydrate solution was heated to 60 °C on a hot plate and stirred continuously for 10 minutes; 125 mL of 1.5 M NaOH solution was added and stirred continuously for 5 minutes; the solution changed from blue to green and gradually formed a black suspension; then 125 mL of 0.1 M ascorbic acid solution was added, and after stirring, the solution turned brick red; stirring was continued at 60 °C for 1 hour, and a brick red precipitate was gradually formed; after stirring, the solution was allowed to stand for half an hour; then the brick red precipitate was collected by centrifugation and washed 2-3 times with deionized water, and then placed in a vacuum oven at 120 °C for 12 hours. A hexahedral Cu2O material was obtained, named 1.5-Cu2O, and all six exposed faces of 1.5-Cu2O are (100) faces.

[0068] Example 2

[0069] Preparation of 2,5-Cu2O

[0070] 500 mL of 0.01 M copper sulfate pentahydrate aqueous solution was heated to 60 °C on a hot plate and stirred continuously for 10 minutes; 125 mL of 2.5 M NaOH solution was added and stirred continuously for 5 minutes; the solution changed from blue to green and gradually formed a black suspension; then 125 mL of 0.1 M ascorbic acid aqueous solution was added, and after stirring, the solution turned brick red; stirring was continued at 60 °C for 1 hour, and a brick red precipitate was gradually formed; after stirring, the solution was allowed to stand for half an hour; then the brick red precipitate was collected by centrifugation and washed 2-3 times with deionized water, and then placed in a vacuum oven at 120 °C for 12 hours. An octahedral Cu2O material was obtained and named 2.5-Cu2O. 2.5-Cu2O has 12 (110) faces added to the six (100) faces.

[0071] Example 3

[0072] Preparation of 6.5-Cu2O

[0073] 500 mL of 0.01 M copper sulfate pentahydrate solution was heated to 60 °C on a hot plate and stirred continuously for 10 minutes; 125 mL of 6.5 M NaOH solution was added and stirred continuously for 5 minutes; the solution changed from blue to green and gradually formed a black suspension; then 125 mL of 0.1 M ascorbic acid solution was added, and after stirring, the solution turned brick red; stirring was continued at 60 °C for 1 hour, and a brick red precipitate was gradually formed; after stirring, the solution was allowed to stand for half an hour; then the brick red precipitate was collected by centrifugation and washed 2-3 times with deionized water, and then placed in a vacuum oven at 120 °C for 12 hours. An pentahedral Cu2O material was obtained, named 6.5-Cu2O. The fifty faces of 6.5-Cu2O include 24 (522), 8 (111), 12 (110), and 6 (100) faces.

[0074] Example 4

[0075] The morphology images of the Cu2O materials prepared in Examples 1-3 are shown below. Figure 1 As shown.

[0076] Density functional theory (DFT) simulations were used to calculate the binding energies of different crystal planes of Cu₂O crystals with different morphologies to a single lithium atom. The calculation results are as follows: Figure 2 As shown. From Figure 2 It can be seen that the (100) crystal plane has the strongest binding energy and stronger lithophilicity. Among 1.5-Cu2O, 2.5-Cu2O and 6.5-Cu2O, the (100) crystal plane of 1.5-Cu2O has the largest proportion. Therefore, 1.5-Cu2O is preferred because it has better lithophilicity.

[0077] The simulation results were verified by electrochemical performance testing. The relationship between the electrochemical performance and binding energy of Cu2O lithium metal anodes with different crystal orientations was compared. The influence of Cu2O with different crystal orientations on the affinity and electrochemical performance of lithium metal anodes was explored. In order to select Cu2O materials with high lithium affinity crystal faces, their application in lithium metal batteries can be realized.

[0078] 1. Testing Method

[0079] The Cu2O materials prepared in Examples 1-3 were coated onto copper foil as lithium metal anode current collectors. Half-cells were assembled using a PP separator, 75 μL of 1M LiTFSI+DOL / DME+1% LiNO3 electrolyte, and a lithium sheet. The measured values ​​were 0.2 mA / cm². -2 Electrodeposition was carried out under specific conditions for 20 hours before use.

[0080] The deposited current collector was used as an electrode to assemble a symmetrical cell at 1 mA cm⁻¹. -2 1mAh cm-2 Electrochemical cycling tests were conducted under the same conditions as in a half-cell, with the same amounts of membrane and electrolyte used. The results are as follows: Figure 3 As shown.

[0081] A full cell was assembled using the deposited current collector as the negative electrode and LiFePO4 as the positive electrode. Electrochemical cycling tests were conducted at 0.5C. The amounts of separator and electrolyte were the same as in the half-cell. Results are as follows: Figure 4 As shown.

[0082] 2. Test Results

[0083] (1) The deposited current collector was used as an electrode to assemble a symmetrical cell. The time-voltage test curve is shown in the figure. Figure 3 As shown.

[0084] Depend on Figure 3 The time-voltage curves show that the Li-1.5Cu2O||Li-1.5Cu2O symmetric cell can cycle stably for nearly 600 hours at an overpotential of 23 mV, while the Li-2.5Cu2O||Li-2.5Cu2O symmetric cell exhibits voltage polarization after about 450 hours of cycling at an overpotential of 26 mV, and the Li-6.5Cu2O||Li-6.5Cu2O exhibits significant voltage polarization after less than 400 hours of cycling at an overpotential of 24 mV.

[0085] The results show that the overpotentials of the symmetric cells assembled from the three different Cu2O morphologies are not significantly different. However, with the increase of charge and discharge time, it is evident that the reversibility of lithium deposition / stripping decreases significantly as the exposed surface of Cu2O gradually increases. This further demonstrates that even for the same lithiophilic material, if the crystal orientation and the binding energy of lithium differ, the lithium deposition / dissolution behavior will also differ.

[0086] (2) Using the deposited current collector as the negative electrode and LiFePO4 as the positive electrode, a full cell was assembled. The cycling performance curve at 0.5C is shown in the figure. Figure 4 As shown.

[0087] Depend on Figure 4 The cycling performance curves shown indicate that, at a current density of 0.5C, the initial discharge capacity of the 1.5-Cu₂O||LiFePO₄ battery is 149 mAh g⁻¹. -1 Even after 175 charge / discharge cycles, it still has 119.09 mAh g. -1 The discharge specific capacity was [value missing], and the capacity retention rate after 175 cycles was 79.9%. Under the same cycling conditions and number of cycles, the initial discharge capacity of the 2.5-Cu₂O||LiFePO₄ battery was 144.7 mAh g⁻¹. -1 The capacity after cycling is 112.87 mAh g.-1 The capacity retention rate was 78%. The initial discharge capacity of the 6.5-Cu₂O||LiFePO₄ battery was 138.6 mAh g⁻¹. -1 The capacity is 106.9 mAh after 175 laps. -1 The capacity retention rate was 77.1%.

[0088] The comparison shows that 1.5-Cu2O outperforms 2.5-Cu2O and 6.5-Cu2O in terms of initial discharge capacity, post-cycle discharge capacity, and capacity retention. This further illustrates that even with the same lithiophilic material, differences in morphology leading to varying lithiophilicity can affect the cycle stability of lithium metal batteries.

[0089] Finally, it should be noted that the above specific embodiments are only used to describe the purpose, technical solution, and beneficial effects of the present invention in detail. It should be understood that the above description is only a specific implementation of the present invention and is not intended to limit the scope of protection of the present invention. Although the present invention has been described in detail with reference to the foregoing specific embodiments, those skilled in the art should understand that modifications can still be made to the technical solutions described in the foregoing embodiments, or equivalent substitutions or improvements can be made to some or all of the technical features. These modifications, equivalent substitutions, and improvements do not cause the essence of the corresponding technical solutions to deviate from the scope of the technical solutions of the embodiments of the present invention, and they should all be covered within the scope of the claims and specification of the present invention.

Claims

1. A method for screening highly lithiophilic Cu2O materials, characterized in that, Includes the following steps: Using copper source, alkaline precipitant, and reducing agent as raw materials, a liquid-phase reduction method was adopted. By changing the concentration of the precipitant solution, the growth of different crystal planes was induced, and Cu2O materials with different crystal orientations were prepared. Density functional theory was used to simulate and calculate the binding energy between different crystal planes of the prepared Cu2O materials and a single lithium atom. The crystal plane with the strongest binding energy was screened out. In the prepared Cu2O materials, the larger the area of ​​the crystal plane with the strongest binding energy, the stronger the lithiophilicity of the Cu2O material. Thus, a Cu2O material with high lithiophilicity was obtained.

2. The screening method for highly lithiophilic Cu₂O materials according to claim 1, characterized in that, The preparation method of the Cu2O material includes: Using copper sulfate pentahydrate as the copper source, prepare an aqueous solution of copper sulfate pentahydrate with a concentration of 0.01 mol / L, place it on a heating platform at a temperature of 40-80℃ and stir for 10-30 min; Add a precipitant solution with a concentration of 1-10 mol / L to the solution obtained in the previous step, stir continuously and evenly, the reaction temperature is 40-80℃, and the stirring time is 5-30 min; Add a reducing agent solution with a concentration of 0.1-1 mol / L to the solution obtained in the previous step, stir continuously and uniformly, the reaction temperature is 40-80℃, and the stirring time is 0.5-2h; The precipitate after the reaction was separated, washed 2-3 times with deionized water, collected, and vacuum dried to obtain Cu2O material.

3. The screening method for highly lithiophilic Cu2O materials according to claim 1, characterized in that, The precipitant is sodium hydroxide or potassium hydroxide.

4. The screening method for highly lithiophilic Cu2O materials according to claim 1, characterized in that, The reducing agent is any one of ascorbic acid, glucose, and hydrazine hydrate.

5. The screening method for highly lithiophilic Cu2O materials according to claim 1, characterized in that, The crystal planes of the prepared Cu2O material include (100) crystal plane, (110) crystal plane, (111) crystal plane and (522) crystal plane.

6. The screening method for highly lithiophilic Cu2O materials according to claim 1, characterized in that, The formula for calculating the binding energy is: AND b =And Li / slab -[AND slab +E Li ] Among them, E Li / slab E represents the total energy of a lithium atom under the equilibrium geometry of the surface. slab E represents the total energy of the bare surface. Li E represents the total energy of free lithium atoms. b It represents the binding energy.

7. A highly lithiophilic Cu₂O material, obtained by screening according to the method described in any one of claims 1-6, characterized in that, The screened high-lithiophilic Cu2O material has a hexahedral structure, and all six faces are (100) crystal planes.

8. The highly lithiophilic Cu₂O material according to claim 7, characterized in that, The preparation method of the highly lithiophilic Cu2O material is as follows: Using copper sulfate pentahydrate as the copper source, prepare an aqueous solution of copper sulfate pentahydrate with a concentration of 0.01 mol / L, place it on a heating platform at a temperature of 40-80℃ and stir for 10-30 min; Add a precipitant solution with a concentration of 1.5 mol / L to the solution obtained in the previous step, stir continuously and evenly, the reaction temperature is 40-80℃, and the stirring time is 5-30 min; Add a reducing agent solution with a concentration of 0.1 mol / L to the solution obtained in the previous step, stir continuously and uniformly, the reaction temperature is 40-80℃, and the stirring time is 0.5-2h; The precipitate after the reaction was separated, washed with deionized water 2-3 times, collected, and vacuum dried to obtain a highly lithiophilic Cu2O material.

9. A current collector, characterized in that, It is prepared by coating the highly lithiophilic Cu2O material of claim 7 onto copper foil.

10. A lithium metal battery, characterized in that, Includes the current collector as described in claim 9.