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CN-121990602-A - High-lithium-philic Cu2O material, screening method and application

CN121990602ACN 121990602 ACN121990602 ACN 121990602ACN-121990602-A

Abstract

The invention discloses a high-lithium-philic Cu 2 O material, a screening method and application, and relates to the technical field of electrode materials; the method comprises the following steps of taking a copper source, an alkaline precipitant 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 precipitant solution, preparing Cu 2 O materials with different crystal face orientations, adopting a density functional theory to simulate, calculating the bonding energy of different crystal faces of the prepared Cu 2 O materials and a single lithium atom, screening out the crystal face with the strongest bonding energy, and thus screening out the Cu 2 O materials with high lithium affinity.

Inventors

  • WU CHEN
  • CAO YONGDA
  • Huang Chenzhi
  • WANG JIE
  • CHEN TING
  • WANG AO

Assignees

  • 中国石油天然气股份有限公司

Dates

Publication Date
20260508
Application Date
20241101

Claims (10)

  1. 1. The screening method of the high-lithium-philic Cu 2 O material is characterized by comprising the following steps of: The method comprises the steps of taking a copper source, an alkaline precipitant 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 precipitant solution, preparing Cu 2 O materials with different crystal face orientations, adopting a density functional theory to simulate, calculating the combination energy of different crystal faces of the prepared Cu 2 O materials and a single lithium atom, screening out the crystal face with the strongest combination energy, and screening out the Cu 2 O material with the high lithium-philicity by adopting the method that the larger the crystal face occupation area with the strongest combination energy is, the stronger the lithium-philicity of the Cu 2 O material is, so that the Cu 2 O material with the high lithium-philicity is obtained.
  2. 2. The method for screening a high-lithium-philic Cu 2 O material according to claim 1, wherein the method for preparing the Cu 2 O material comprises: Preparing a copper sulfate pentahydrate aqueous solution with the concentration of 0.01mol/L by taking copper sulfate pentahydrate as a copper source, and placing the copper sulfate pentahydrate aqueous solution on a heating table with the temperature of 40-80 ℃ for stirring for 10-30min; adding a precipitant solution with the concentration of 1-10 mol/L/into the solution obtained in the previous step, continuously and uniformly stirring, wherein the reaction temperature is 40-80 ℃, and the stirring time is 5-30min; adding a reducing agent solution with the concentration of 0.1-1mol/L into the solution obtained in the previous step, continuously and uniformly stirring, wherein the reaction temperature is 40-80 ℃, and the stirring time is 0.5-2h; Separating the precipitate after the reaction, cleaning the precipitate with deionized water for 2-3 times, collecting the precipitate, and performing vacuum drying to obtain the Cu 2 O material.
  3. 3. The method for screening a high-lithium-philic Cu 2 O material according to claim 1, wherein the precipitant is sodium hydroxide or potassium hydroxide.
  4. 4. The method for screening a high-lithium-philic Cu 2 O material according to claim 1, wherein the reducing agent is any one of ascorbic acid, glucose and hydrazine hydrate.
  5. 5. The method for screening a highly lithiated Cu 2 O material according to claim 1, wherein the crystal planes of the prepared Cu 2 O material include a (100) crystal plane, (110) crystal plane, (111) crystal plane and (522) crystal plane.
  6. 6. The method for screening a high-lithium-philic Cu 2 O material according to claim 1, wherein the binding energy is calculated according to the formula: E b ＝E Li/slab -[E slab +E Li ] Wherein E Li/slab represents the total energy of lithium atoms in the surface equilibrium geometry, E slab represents the total energy of bare surfaces, E Li represents the total energy of free lithium atoms, and E b represents the binding energy.
  7. 7. The high-lithium-philic Cu 2 O material obtained by screening by the method according to any one of claims 1 to 6, wherein the high-lithium-philic Cu 2 O material obtained by screening has a hexahedral structure, and six faces are (100) crystal faces.
  8. 8. The high-lithium-philic Cu 2 O material as in claim 7, wherein the preparation method of the high-lithium-philic Cu 2 O material is as follows: Preparing a copper sulfate pentahydrate aqueous solution with the concentration of 0.01mol/L by taking copper sulfate pentahydrate as a copper source, and placing the copper sulfate pentahydrate aqueous solution on a heating table with the temperature of 40-80 ℃ for stirring for 10-30min; adding a precipitant solution with the concentration of 1.5 mol/L/into the solution obtained in the previous step, continuously and uniformly stirring, wherein the reaction temperature is 40-80 ℃, and the stirring time is 5-30min; Adding a reducing agent solution with the concentration of 0.1mol/L into the solution obtained in the previous step, continuously and uniformly stirring, wherein the reaction temperature is 40-80 ℃, and the stirring time is 0.5-2h; Separating the precipitate after the reaction, cleaning the precipitate with deionized water for 2-3 times, collecting the precipitate, and performing vacuum drying to obtain the high-lithium-philic Cu 2 O material.
  9. 9. A current collector prepared by coating the high lithium philic Cu 2 O material as defined in claim 7 on a copper foil.
  10. 10. A lithium metal battery comprising the current collector of claim 9.

Description

High-lithium-philicity Cu 2 O material, screening method and application Technical Field The invention relates to the technical field of electrode materials, in particular to a high-lithium-philicity Cu 2 O material, a screening method and application. Background The lithium metal battery is used as the battery with the highest high energy density, has great development potential in the fields of portable electronic equipment, electric automobiles, energy storage systems and the like, and is expected to surpass the current most advanced lithium ion battery in charging capacity, so that the energy of specific energy is doubled. However, during the charge and discharge process, the cathode side of the lithium metal battery performs irregular electrodeposition due to highly active lithium atoms, which can cause uncontrollable growth of lithium dendrites, resulting in lower cycle performance and safety risks such as thermal runaway of the battery. These risks seriously hamper its use in practical production. The growth process of the lithium dendrite mainly comprises three stages of SEI film formation, lithium dendrite nucleation and lithium dendrite growth. By introducing a lithium-philic material on the current collector, regulating the lithium-philic property of the negative electrode interface and the uniformity of nucleation sites are one of the important means for inhibiting the uneven growth of lithium dendrites. Lithium nucleation and growth are essentially an electrocrystallization process, and therefore, the crystal orientation of the lithium-philic material is a key factor affecting the final growth morphology of lithium dendrites, and the lithium-philic properties caused by the morphology are different, thereby affecting the cycling stability of the lithium metal battery. There is no report in the prior art about the influence of the same material with the crystal plane orientation of the anode lithium-philic material on lithium deposition and electrochemical performance by screening Cu 2 O materials with specific crystal plane orientation. Disclosure of Invention The invention aims to solve the technical problem of how to screen out Cu 2 O materials with high lithium philicity according to the difference of lithium philicity caused by different crystal face orientations of the same lithium philicity materials, and aims to provide a high lithium philicity Cu 2 O material, a screening method and application, wherein the concentration of a precipitant solution is regulated to induce the growth of different crystal faces, the Cu2O materials with different crystal face orientations are prepared, and the optimal crystal face orientations are screened out by combining theoretical calculation, so that the high lithium philicity Cu2O materials are obtained by screening, and the screening method is proved to be correct and effective by electrochemical test demonstration analysis, and has guiding significance on the difference of the lithium metal negative electrode in the lithium philicity and the electrochemical performance of the same materials with different crystal face orientations. The invention is realized by the following technical scheme: The first aim of the invention is to provide a screening method of a high-lithium-philic Cu 2 O material, which comprises the following steps: The method comprises the steps of taking a copper source, an alkaline precipitant 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 precipitant solution, preparing Cu 2 O materials with different crystal face orientations, adopting a density functional theory to simulate, calculating the combination energy of different crystal faces of the prepared Cu 2 O materials and a single lithium atom, screening out the crystal face with the strongest combination energy, and screening out the Cu 2 O material with the high lithium-philicity by adopting the method that the larger the crystal face occupation area with the strongest combination energy is, the stronger the lithium-philicity of the Cu 2 O material is, so that the Cu 2 O material with the high lithium-philicity is obtained. Further, the preparation method of the Cu 2 O material comprises the following steps: Preparing a copper sulfate pentahydrate aqueous solution with the concentration of 0.01mol/L by taking copper sulfate pentahydrate as a copper source, and placing the copper sulfate pentahydrate aqueous solution on a heating table with the temperature of 40-80 ℃ for stirring for 10-30min; adding a precipitant solution with the concentration of 1-10 mol/L/into the solution obtained in the previous step, continuously and uniformly stirring, wherein the reaction temperature is 40-80 ℃, and the stirring time is 5-30min; adding a reducing agent solution with the concentration of 0.1-1mol/L into the solution obtained in the previous step, continuously and uniformly stirr