Performance regulation and control method and device of electrocatalyst, electronic equipment and program product

Abstract

The invention provides a performance regulation and control method and device of an electrocatalyst, electronic equipment and a program product. The performance regulation and control method of the electrocatalyst comprises the following steps: determining a regulation and control interval of an anode potential and a regulation and control interval of a cathode potential in a target electrochemical reaction according to an electrochemical behavior of the target electrochemical reaction and dynamic characteristics of an interface structure of the electrocatalyst; determining the control duration of the anode potential, the control duration of the cathode potential and the duration ratio of the anode potential and the cathode potential according to the dynamic characteristics and the stability requirement of the electrocatalyst; generating a corresponding pulse voltage according to the regulation and control interval, the control duration and the duration proportion corresponding to the anode potential and the cathode potential; in the reaction process of the target electrochemical reaction, pulse voltage is applied to the electrocatalyst, and performance regulation and control of the electrocatalyst are achieved. According to the technical scheme, the activity and stability of the electrocatalyst can be improved, and the service life of the electrocatalyst can be prolonged.

Description

Technical Field

[0001] The present disclosure relates to a method, device, electronic device, storage medium and program product for controlling the performance of an electrocatalyst. Background Art

[0002] The oxygen evolution reaction (OER) is a core step in renewable energy systems such as water electrolysis and metal-air batteries, and its efficiency directly impacts the economic viability of energy conversion. Under traditional potentiostatic or galvanostatic operation modes, catalysts are susceptible to irreversible surface reconstruction, lattice oxygen release, and metal dissolution at high potentials, leading to loss of active sites and performance degradation. Summary of the Invention

[0003] The present disclosure provides a method, device, electronic device, storage medium and program product for controlling the performance of an electrocatalyst.

[0004] According to one aspect of the present disclosure, a method for regulating the performance of an electrocatalyst is provided, comprising: Determining the control range of the anode potential and cathode potential of the target electrochemical reaction based on the electrochemical behavior of the target electrochemical reaction and the dynamic characteristics of the interface structure of the electrocatalyst; Determining the control duration of the anode potential and the cathode potential and the ratio of the control durations thereof according to the kinetic characteristics and stability requirements of the electrocatalyst; generating a corresponding pulse voltage according to the control interval, control duration, and duration ratio of the anode potential and the cathode potential; and During the reaction process of the target electrochemical reaction, the pulse voltage is applied to the electrocatalyst to achieve performance regulation of the electrocatalyst.

[0005] According to one aspect of the technical solution, the control range of the anode potential and cathode potential of the target electrochemical reaction is determined based on the electrochemical behavior of the target electrochemical reaction and the dynamic characteristics of the interface structure of the electrocatalyst. Then, based on the kinetic characteristics and stability requirements of the electrocatalyst, the control duration of the anode potential and cathode potential and the duration ratio between the two are determined. Then, based on the control range, control duration and duration ratio corresponding to the anode potential and cathode potential, a corresponding pulse voltage is generated, so that during the reaction process of the target electrochemical reaction, the pulse voltage is applied to the electrocatalyst to achieve performance regulation of the electrocatalyst.

[0006] In this way, the interfacial structure of the electrocatalyst can be dynamically adjusted by pulse voltage, so that it can be reversibly converted between a highly active state and a stable state, reducing the mass loss of the electrocatalyst caused by instability during the reaction process, thereby improving the activity and stability of the electrocatalyst and extending the service life of the electrocatalyst.

[0007] In some embodiments of the present disclosure, determining the control range of the anode potential and the control range of the cathode potential in the target electrochemical reaction based on the electrochemical behavior of the target electrochemical reaction and the dynamic characteristics of the interface structure of the electrocatalyst includes: Determining a control range of the anode potential in the target electrochemical reaction according to the current density required by the target electrochemical reaction; An interface structure stability analysis is performed on the electrocatalyst of the target electrochemical reaction to determine a control range of the cathode potential in the target electrochemical reaction.

[0008] In some embodiments of the present disclosure, determining the control range of the anode potential in the target electrochemical reaction according to the current density required by the target electrochemical reaction includes: Obtaining electrochemical cyclic voltammetry curves of electrocatalysts; According to the current density required by the target electrochemical reaction, the control range of the anode potential in the target electrochemical reaction is determined in the electrochemical cyclic voltammetry curve.

[0009] In some embodiments of the present disclosure, performing an interface structure stability analysis on an electrocatalyst of the target electrochemical reaction to determine a control range of a cathode potential in the target electrochemical reaction includes: Determine the reduction reaction activity range of electrocatalysts at cathodic potential; From the reduction reaction activity range, a control range of cathode potential that can achieve reversible recovery of the interface structure and minimize metal dissolution is screened out.

[0010] In some embodiments of the present disclosure, determining the control time of the anode potential, the control time of the cathode potential, and the ratio between the two times according to the kinetic characteristics and stability requirements of the electrocatalyst includes: determining the kinetic rates of the anodic reaction and the cathodic reaction of the electrocatalyst, respectively; According to the ratio between the kinetic rate of the anode reaction and the kinetic rate of the cathode reaction, the control time of the anode potential, the control time of the cathode potential and the ratio of the time between the two that meet the stability requirements are determined.

[0011] In some embodiments of the present disclosure, the pulse voltage includes an anode potential and a cathode potential that are applied alternately and periodically, and the values of the anode potential and the cathode potential are within a value range of a corresponding control interval; or The waveform of the pulse voltage is any one of a square wave, a sawtooth wave, a sharp pulse, a triangle wave, a rectangular pulse or a step wave; or The electrocatalyst is an iridium-based catalyst, a ruthenium-based catalyst, a cobalt-based catalyst, a platinum-based catalyst, an iron-based catalyst, a copper-based catalyst or a nickel-based catalyst; or The target electrochemical reaction is a water electrolysis reaction, a hydrogen oxidation reaction or an oxygen reduction reaction, and the water electrolysis reaction includes a hydrogen evolution reaction and an oxygen evolution reaction.

[0012] In some embodiments of the present disclosure, the method further includes: The control ranges, control durations, and duration ratios of both the anode potential and the cathode potential determined in the first catalyst system are applied to the second catalyst system.

[0013] According to another aspect of the present disclosure, there is provided a performance control device for an electrocatalyst, comprising: a first determination module for determining a control range of an anode potential and a control range of a cathode potential in the target electrochemical reaction according to the electrochemical behavior of the target electrochemical reaction and the dynamic characteristics of the interface structure of the electrocatalyst; a second determining module, configured to determine a control time of the anode potential, a control time of the cathode potential, and a ratio between the control time and the cathode potential according to the kinetic characteristics and stability requirements of the electrocatalyst; a generating module for generating a corresponding pulse voltage according to the control interval, control duration, and duration ratio corresponding to the anode potential and the cathode potential; and The processing module is used to apply the pulse voltage to the electrocatalyst during the reaction process of the target electrochemical reaction to achieve performance regulation of the electrocatalyst.

[0014] According to another aspect of the present disclosure, an electronic device is provided, comprising: a memory storing execution instructions; and a processor executing the execution instructions stored in the memory, so that the processor executes the performance control method of the electrocatalyst according to any embodiment of the present disclosure.

[0015] According to another aspect of the present disclosure, a readable storage medium is provided, wherein the readable storage medium stores execution instructions, and when the execution instructions are executed by a processor, the performance control method of the electrocatalyst according to any embodiment of the present disclosure is implemented.

[0016] According to another aspect of the present disclosure, a computer program product is provided, comprising a computer program, wherein when the computer program is executed by a processor, the method for controlling the performance of the electrocatalyst according to any embodiment of the present disclosure is implemented. BRIEF DESCRIPTION OF THE DRAWINGS

[0017] The accompanying drawings illustrate exemplary embodiments of the present disclosure and together with the description serve to explain the principles of the present disclosure. These drawings are included to provide a further understanding of the present disclosure and are incorporated in and constitute a part of this specification.

[0018] Figure 1 A schematic flow chart of a method for regulating the performance of an electrocatalyst according to one embodiment of the present disclosure is shown.

[0019] Figure 2 A schematic flow chart of step S110 in a method for controlling the performance of an electrocatalyst according to one embodiment of the present disclosure is shown.

[0020] Figure 3 A schematic flow chart of step S111 in a method for controlling the performance of an electrocatalyst according to one embodiment of the present disclosure is shown.

[0021] Figure 4 A schematic flow chart of step S112 in a method for controlling the performance of an electrocatalyst according to one embodiment of the present disclosure is shown.

[0022] Figure 5 A schematic flow chart of step S120 in a method for controlling the performance of an electrocatalyst according to one embodiment of the present disclosure is shown.

[0023] Figure 6 A schematic diagram of an electrochemical cyclic voltammetry curve of SrIrO3 (100) according to one embodiment of the present disclosure is shown.

[0024] Figure 7 Shown are electrochemical impedance spectra and fitting circuit diagrams at different potentials according to one embodiment of the present disclosure.

[0025] Figure 8 A schematic diagram of the stability comparison curve of the SrIrO3(100) catalyst in Example 1 under different anode potential control time periods is shown.

[0026] Figure 9 Shown are the stability comparison curves of the SrIrO3(100) catalyst in Example 1 at different anode potential / cathode potential time ratios and the stability schematic diagram of Comparative Example 1.

[0027] Figure 10A schematic diagram showing the stability of the SrIrO3 powder catalyst under pulse dynamic regulation in Example 2 and the stability of Comparative Example 2 is shown.

[0028] Figure 11 A schematic diagram showing the stability of the IrO2 powder catalyst under pulse dynamic regulation in Implementation Case 3 and the stability of Comparative Case 3 is shown.

[0029] Figure 12 A schematic structural block diagram of a performance control device for an electrocatalyst according to one embodiment of the present disclosure is shown.

[0030] Figure 13 1 is a schematic structural block diagram of an electronic device equipped with a performance control device for an electrocatalyst according to an embodiment of the present disclosure. DETAILED DESCRIPTION

[0031] The present disclosure is further described in detail below with reference to the accompanying drawings and examples. It should be understood that the specific examples described herein are intended only to illustrate the relevant content and are not intended to limit the present disclosure. It should also be noted that, for ease of description, only the portions relevant to the present disclosure are shown in the accompanying drawings.

[0032] It should be noted that, in the absence of conflict, the embodiments and features of the embodiments in the present disclosure can be combined with each other. The technical solution of the present disclosure will be described in detail below with reference to the accompanying drawings and in combination with the embodiments.

[0033] Electrocatalysts can be added to electrochemical reaction systems to accelerate electrode reactions. For example, the oxygen evolution reaction (OER) is a core step in water electrolysis, metal-air batteries, and other renewable energy storage systems. Its reaction efficiency directly determines the energy conversion efficiency and economic viability of the system.

[0034] Ideal OER electrocatalysts need to achieve high current density at low potentials and maintain lattice stability and active site integrity in strongly oxidizing, acidic, or alkaline environments to meet the requirements of long-term continuous operation. However, most electrocatalysts undergo surface reconstruction, lattice oxygen escape, and metal ion dissolution under sustained high potential, resulting in irreversible loss of active components and attenuation of catalytic sites, significantly shortening their service life. Therefore, overcoming the activity-stability contradiction of existing electrocatalysts under high-intensity operating conditions is a key challenge to improving the performance of water splitting and metal-air batteries and realizing their industrial application.

[0035] To this end, the present disclosure proposes the following technical solution, in which the interface structure of the electrocatalyst is dynamically regulated by pulse voltage, so that it can be reversibly converted between a highly active state and a stable state, thereby reducing the mass loss of the electrocatalyst caused by instability during the reaction process, thereby improving the activity and stability of the electrocatalyst and extending the service life of the electrocatalyst.

[0036] Figure 1 FIG. 1 is a flow chart showing a method for controlling the performance of an electrocatalyst according to an embodiment of the present disclosure. Figure 1 As shown, the electrocatalyst performance control method includes at least steps S110 to S140, which are described in detail below.

[0037] In step S110 , the control range of the anode potential and the control range of the cathode potential in the target electrochemical reaction are determined according to the electrochemical behavior of the target electrochemical reaction and the dynamic characteristics of the interface structure of the electrocatalyst.

[0038] The target electrochemical reaction may be any chemical reaction in which the designed electron transfer occurs on the catalyst surface by applying an external potential. For example, the target electrochemical reaction may be a water electrolysis reaction, a hydrogen oxidation reaction, or an oxygen reduction reaction. The water electrolysis reaction includes an oxygen evolution reaction occurring at the anode and a hydrogen evolution reaction occurring at the cathode.

[0039] Electrochemical behavior can be the response characteristics of an electrocatalyst under specific potential or current conditions in an electrochemical reaction, including but not limited to current-potential relationships (such as cyclic voltammetry curves), reaction kinetic parameters (such as exchange current density, Tafel slope), and charge transfer impedance. By analyzing electrochemical behavior, the active site formation mechanism and reaction path of the electrocatalyst can be revealed.

[0040] The interfacial structure of an electrocatalyst can be the atomic arrangement, chemical composition, and microscopic morphology of the surface area in contact with the electrolyte. In one example, the electrocatalyst can be iridium-based, ruthenium-based, cobalt-based, platinum-based, iron-based, copper-based, or nickel-based. For example, iridium oxide (SrIrO3) forms surface oxygen vacancies or metallic oxidation states (such as Ir(IV)) at anodic potential. These structural features directly influence catalytic activity and stability.

[0041] The dynamic nature of the interface structure can be described as the ability of an electrocatalyst's interface structure to undergo reversible evolution with potential changes under periodic electrochemical control. For example, at an anodic potential, oxygen vacancies form (a highly active state), while at a cathodic potential, these oxygen vacancies are filled and the catalyst returns to a stable state. This dynamic nature is key to achieving the "activation-recovery" cycle.

[0042] The control range can be the operating range of the anode and cathode potentials determined to optimize electrocatalyst performance, balancing the activity and stability of the electrocatalyst. In one example, the control range of the anode potential needs to cover the high activity region of the target electrochemical reaction while avoiding excessive oxidation or dissolution, while the control range of the cathode potential needs to ensure reversible recovery of the interface structure and suppress metal ion dissolution.

[0043] In this embodiment, the terminal can determine the corresponding electrochemical behavior of a specified target electrochemical reaction, as well as the dynamic characteristics of the interface structure of the electrocatalyst used in the target electrochemical reaction, and thus determine the control range of the anode potential and cathode potential for dynamic control. It should be noted that the control range is a numerical range, that is, the values of the anode potential and cathode potential are within their respective control ranges, thereby balancing the activity and stability of the electrocatalyst.

[0044] Please continue to refer to Figure 1 In step S120, the control time of the anode potential, the control time of the cathode potential, and the ratio between the two are determined according to the kinetic characteristics and stability requirements of the electrocatalyst.

[0045] Among them, kinetic properties can be rate-related parameters involved in the electrochemical reaction of the electrocatalyst, including the anodic reaction rate and the cathodic reaction rate, both of which can be measured by electrochemical impedance spectroscopy or chronoamperometry.

[0046] The stability requirement can be the performance requirement that the electrocatalyst needs to maintain structural integrity and inhibit the loss of active components during the dynamic regulation process, which can be manifested as low metal dissolution and small current density decay rate after long-term circulation.

[0047] The control duration of the anode potential and the cathode potential may be the duration of applying the anode potential and the cathode potential within one pulse cycle.

[0048] The duration ratio may be a ratio between the control duration of the anode potential and the control duration of the cathode potential, and is used to balance the reaction progress of the electrocatalyst and the structural recovery requirements.

[0049] In this embodiment, the terminal can determine the control duration of the anode potential, the control duration of the cathode potential, and the ratio between the two by analyzing the kinetic characteristics of the electrocatalyst and, subject to the stability requirements, determining the control duration of the anode potential and the cathode potential. Specifically, the terminal can determine the kinetic rates of the anode reaction and the cathode reaction of the electrocatalyst, respectively, and then, based on the ratio of the kinetic rates, determine the ratio of the control durations between the two. Finally, for different electrocatalysts, the control durations of the anode potential and the cathode potential that meet the stability requirements are determined.

[0050] In step S130 , a corresponding pulse voltage is generated according to the control interval, control duration, and duration ratio corresponding to the anode potential and the cathode potential.

[0051] The pulse voltage can be a voltage signal formed by periodically alternating application of an anode potential and a cathode potential. Its waveform, amplitude, and timing parameters can be determined based on the control intervals, control durations, and ratios corresponding to the anode and cathode potentials determined above. For example, a square wave pulse consists of alternating high potentials (anode intervals) and low potentials (cathode intervals), with the duration of each potential segment set by the control duration and duration ratio, and the anode and cathode potentials falling within the corresponding control intervals.

[0052] In this embodiment, the terminal can select a pulse waveform according to the requirements of the target electrochemical reaction. In one example, the waveform of the pulse voltage can be any one of a square wave, a sawtooth wave, a sharp pulse, a triangle wave, a rectangular pulse or a step wave. Then, the anode potential is set to a fixed value or a dynamic range (i.e., a periodic change) within the corresponding control interval. Similarly, the cathode potential is also set to a fixed value or a dynamic range within the corresponding control interval. Then, based on the duration ratio, the duration of the anode potential and the cathode potential is determined. In this way, by precisely controlling the potential switching frequency and duration, the reversible conversion of the interface structure of the electrocatalyst can be ensured.

[0053] In step S140 , during the reaction process of the target electrochemical reaction, the pulse voltage is applied to the electrocatalyst to achieve performance regulation of the electrocatalyst.

[0054] In this embodiment, during the target electrochemical reaction, the generated pulse voltage can be applied to the electrocatalyst to achieve dynamic control of the electrocatalyst's interface structure. This pulse voltage dynamically modulates the electrocatalyst's interface structure, allowing it to reversibly transition between a highly active state and a stable state. This reduces mass loss caused by instability during the reaction, thereby improving the electrocatalyst's activity and stability and extending its service life.

[0055] In one embodiment, the electrocatalyst's status can be monitored in real time during the application of a pulsed voltage. For example, if the anode reaction exhibits high dissolution, the duration can be adjusted accordingly to reduce dissolution. If the interface structure is not fully recovered, the cathode potential value or control range can be increased. This feedback adjustment mechanism can enhance the robustness of the control strategy and adapt to complex operating conditions.

[0056] Based on the above embodiments, Figure 2FIG. 1 shows a flow chart of step S110 in a method for controlling the performance of an electrocatalyst according to an embodiment of the present disclosure, as shown in FIG. Figure 2 As shown, step S110 includes at least the following steps: In step S111 , a control range of the anode potential in the target electrochemical reaction is determined according to the current density required by the target electrochemical reaction.

[0057] Current density can be the intensity of the current flowing through a unit electrode area (e.g., mA / cm²), and is used to quantify the rate of an electrochemical reaction. For example, industrial water electrolysis typically requires a current density ≥10 mA / cm² to ensure efficient hydrogen / oxygen production.

[0058] In this embodiment, the terminal can determine the potential range of the anode potential that satisfies the current density required for the target electrochemical reaction, thereby using the potential range as the control interval of the anode potential.

[0059] S112. Performing stability analysis on the interface structure of the electrocatalyst of the target electrochemical reaction to determine a control range of the cathode potential in the target electrochemical reaction.

[0060] In this embodiment, the terminal can determine the dynamic changes in the interface structure of the electrocatalyst during the electrochemical reaction, and determine a potential range through stability analysis, so that a cathode potential is applied to the electrocatalyst within this potential range, so that the interface structure of the electrocatalyst can remain relatively stable, avoiding problems such as structural damage and loss of active sites due to inappropriate potential.

[0061] In this way, through the above steps, the control range of the anode potential and the cathode potential can be reasonably determined, thereby effectively balancing the activity and stability of the electrocatalyst in the subsequent process.

[0062] In some embodiments of the present disclosure, Figure 3 As shown, the aforementioned step S111 at least includes steps S1111 to S1112, which are described in detail as follows: In step S1111 , an electrochemical cyclic voltammetry curve of the electrocatalyst is obtained.

[0063] In this embodiment, the terminal can measure the electrochemical cyclic voltammetry curve of the electrocatalyst based on electrochemical cyclic voltammetry. Specifically, in a target electrochemical reaction (such as acidic OER), an iridium-based oxide (SrIrO3) is used as the working electrode, a linear potential sweep (such as 0.5–2.0 V, a scan rate of 10 mV / s) is applied, and the electrochemical cyclic voltammetry curve is recorded.

[0064] In step S1112 , a control range of the anode potential in the target electrochemical reaction is determined in the electrochemical cyclic voltammetry curve according to the current density required for the target electrochemical reaction.

[0065] In this embodiment, the terminal can locate the corresponding potential range in the electrochemical cyclic voltammetry curve based on the current density required for the target electrochemical reaction (e.g., 10 mA / cm²). For example, the potential range corresponding to 10 mA / cm² is 1.3–1.6 V (vs. SCE).

[0066] In this way, the control range of the anode potential can be precisely locked to ensure that highly active oxygen vacancies can be continuously generated on the surface of the electrocatalyst.

[0067] In some embodiments, multiple potential points can be selected within the aforementioned control range and verified using in situ scanning tunneling microscopy to observe changes in the surface morphology of the electrocatalyst in real time, thereby further determining the potential range where the oxygen vacancy density is moderate and uniformly distributed, thereby improving the accuracy of the determined control range.

[0068] In some embodiments of the present disclosure, Figure 4 As shown, the aforementioned step S112 at least includes steps S1121 to S1122, which are described in detail as follows: In step S1121 , the reduction reaction activity range of the electrocatalyst at the cathode potential is measured.

[0069] In step S1122, a control range of cathode potential that can achieve reversible recovery of the interface structure and minimize metal dissolution is selected from the reduction reaction activity range.

[0070] The reduction reaction activity range can be the effective potential range for the reduction reaction to occur on the surface of the electrocatalyst under the action of the cathode potential, which must meet the dual conditions of reversible recovery of the interface structure and low metal dissolution. For example, iridium-based oxide (SrIrO3) can reduce the surface Ir species with higher valence (Ir( IV)) is reduced to the stable form (Ir(III)).

[0071] In this example, during the target electrochemical reaction, a cathode potential sweep (e.g., -0.5 V to 0.5 V at a scan rate of 10 mV / s) is applied to the electrocatalyst, and the corresponding electrochemical cyclic voltammetry curve is recorded. The candidate cathode potential control range (e.g., -0.1–0.3 V) is determined by the reduction current peak.

[0072] Then, a constant potential test (1 hour) was performed in the candidate cathode potential range (e.g., -0.1–0.3 V), and the electrolyte was collected and analyzed using ICP-MS for metal ions (e.g., Ir³⁺, Ir 4 ⁺) and screen out the potential range with the lowest dissolution amount (e.g. 0.0–0.2 V).

[0073] Perform EIS measurements at a cathodic potential (e.g., 0.0–0.2 V) and fit the equivalent circuit model to obtain the charge transfer resistance. Select the potential point with the minimum charge transfer resistance (e.g., 0.1 V). It should be understood that low charge transfer resistance reflects fast reduction reaction kinetics and strong structural recovery ability.

[0074] Then, electrochemical scanning tunneling microscopy and Raman spectroscopy were performed at an optimized cathode potential (e.g., 0.1 V), and the structure at this potential was analyzed using machine learning molecular dynamics. It was determined that the structure at this potential was more stable than the oxidized state.

[0075] Dynamic electrochemical testing is then performed by combining the optimized cathode potential range (0.0–0.2 V) with the anodic potential to create square wave pulses (e.g., 1.5 V for 10 ms at the anode and 0.1 V for 10 ms at the cathode). The current density stability and metal dissolution are monitored after long-term operation (e.g., 24 hours). This allows the determination of the optimal cathode potential range that allows for rapid recovery of the electrocatalyst surface oxidation state while suppressing lattice oxygen loss.

[0076] In some embodiments of the present disclosure, Figure 5 As shown, step S120 at least includes steps S121 to S122, which are described in detail as follows: In step S121 , the kinetic rates of the anode reaction and the cathode reaction of the electrocatalyst are determined respectively.

[0077] In step S122, based on the ratio between the kinetic rate of the anode reaction and the kinetic rate of the cathode reaction, the control time of the anode potential, the control time of the cathode potential and the ratio between the two that meet the stability requirements are determined.

[0078] In this embodiment, electrochemical impedance spectroscopy (EIS) testing or chronoamperometry can be used to determine the kinetic rates of the anodic reaction and the cathodic reaction of the electrocatalyst, and then the corresponding time ratio can be determined based on the ratio of the two kinetic rates. For example, the ratio between the kinetic rates of the anodic reaction and the cathodic reaction is k a :k c , set the duration ratio to t a :t c =k c :k a.

[0079] Then, different combinations of anode potential and cathode potential durations are tested in the millisecond to second range (e.g., 1 ms–10 s), and screening is performed based on stability requirements (metal dissolution amount and changes in surface morphology) and activity requirements (efficiency in achieving current density), thereby determining the control durations of both anode potential and cathode potential.

[0080] In this way, by controlling the time ratio through rate matching, the surface can be fully activated in the anode stage, the structure can be quickly restored in the cathode stage, and irreversible degradation can be inhibited, thereby extending the service life of the electrocatalyst.

[0081] In some embodiments of the present disclosure, the aforementioned electrocatalyst performance control method further includes: The control ranges, control durations, and duration ratios of both the anode potential and the cathode potential determined in the first catalyst system are applied to the second catalyst system.

[0082] In this embodiment, the terminal can extend the control range, control time and time ratio of the anode potential and cathode potential determined for the first catalyst system to the second catalyst system, thereby effectively reducing the trial and error cost of the second catalyst system and improving R&D efficiency.

[0083] Taking single crystal catalyst systems and powder catalyst systems as examples, a single crystal catalyst system can refer to a catalyst model with a highly ordered crystal structure. A powder catalyst system can be a practical catalyst composed of nano- or micron-sized particles. In other words, starting from a single crystal catalyst system with a clear structure, the terminal can use in situ characterization technology to determine the accurate interface structure at different potentials, combine the electrocatalytic performance to determine the structure-activity relationship, and use this as a basis for pulse voltage regulation and determine the corresponding control strategy. This can reduce the trial and error cost of the powder catalyst system and improve R&D efficiency.

[0084] In some embodiments, when applying the control parameters determined for the first catalyst system to the second catalyst system, the parameters can be fine-tuned to improve their applicability to the second catalyst system. For example, due to the larger specific surface area of the powder catalyst, the anode potential can be appropriately lowered (e.g., from 1.3 V to 1.2 V vs. SCE) to avoid local overloading. In other words, the control parameters (control range, control duration, and duration ratio) determined for the single crystal catalyst system can be used as a starting point for rapid parameter trials in the powder catalyst system, and further optimization can be performed based on this basis.

[0085] Based on the technical solutions of the above embodiments, a specific application scenario of the embodiments of the present disclosure is introduced below.

[0086] Taking the iridium-based oxide catalyst in the acidic oxygen evolution reaction as an example, the performance control method of the electrocatalyst provided in the embodiment of the present disclosure includes the following steps.

[0087] Step S1: determining the control range of cathode potential / anode potential.

[0088] Specifically, the anode potential (V1) in the dynamic control potential is determined according to the current density required for the target OER. For example, if the required current density is 10 mA / cm 2 When the anode potential is determined to be adjustable within the range of 1.3 V to 1.6 V (vs. SCE), a cathode potential (V2) at which the interface structure is relatively stable can be determined based on electrochemical cyclic voltammetry and ex situ / in situ characterization (e.g., scanning tunneling microscopy, Raman spectroscopy, and inductively coupled plasma mass spectrometry). For iridium-based oxides, the cathode potential is adjustable within the range of -0.1 V to 0.3 V (vs. SCE).

[0089] Step S2: Determine the pulse voltage parameters.

[0090] Specifically, the ratio of the anode / cathode reaction kinetic rates, as characterized by electrochemical impedance spectroscopy, guides the selection of the anode / cathode duration ratio. It should be understood that an appropriate cathode potential / anode potential control duration and duration ratio can ensure that the catalyst does not undergo unstable dissolution during the OER reaction for a long time. The iridium-based oxide control duration was regulated from milliseconds to seconds, and the optimal duration was determined to be 10 ms based on stability. The anode / cathode duration ratio was regulated from 1:1 to 10:1, and the optimal ratio was determined to be 1:1.

[0091] Step S3: Generate a pulse voltage and apply it to the electrocatalyst during the reaction.

[0092] To verify the effectiveness of the embodiment of the present disclosure, several electrochemical tests are described below. Specifically, the electrochemical tests were conducted in a three-electrode system. In the single crystal experiment, the working electrode was pulsed laser deposited SrIrO3(100), with SrTiO3(100) as the substrate, the counter electrode was a Pt sheet electrode, the reference electrode was a saturated calomel electrode (SCE), and the electrolyte was 0.1 M HClO4. In the powder catalyst test, the working electrode was replaced with a 1 cm 2 SrIrO3 and IrO2 powder catalysts on carbon paper.

[0093] Case Study 1: Dynamic Control and Optimization of SrIrO3(100) Single Crystal Catalyst Experimental system: SrIrO3(100) / SrTiO3(100) single crystal thin film (prepared by pulsed laser deposition, thickness 50 nm) Electrochemical testing: Test the electrochemical cyclic voltammetry curve, perform electrochemical impedance spectroscopy at different redox potentials, and fit and calculate the exchange current density at the potential.

[0094] Dynamic control parameters: anode potential of 1.46 V (vs. SCE) and cathode potential of 0.1 V. The anode potential control duration was adjusted to 1 ms, 10 ms, 100 ms, and 1000 ms, and the optimal duration was selected. Based on this, the anode potential / cathode potential duration ratio was adjusted to 1:1, 2:1, 5:1, and 10:1, and the optimal control ratio was determined.

[0095] Comparative Case 1: Constant Potential Test of SrIrO3(100) Single Crystal Catalyst Test parameters: OER stability was tested at a constant potential of 1.46 V (vs. SCE). This potential was chosen to ensure a test current density of 10 mA / cm².

[0096] Case Study 2: Dynamic Control and Optimization of SrIrO3 Powder Catalyst Experimental system: SrIrO3 powder catalyst Dynamic control parameters: anode potential of 1.2 V (vs. SCE), cathode potential of 0.1 V. Anode control time of 10 ms, anode / cathode time ratio of 1:1.

[0097] Comparative Case 2: Constant Potential Test of SrIrO3 Powder Catalyst Test parameters: 1.2 V (vs. SCE) constant potential test OER reaction stability to achieve a test current density of 10 mA / cm2.

[0098] Case Study 3: Dynamic Control and Optimization of IrO2 Powder Catalyst Experimental system: IrO2 powder catalyst Dynamic control parameters: anode potential of 1.3 V (vs. SCE), cathode potential of 0.1 V. Anode control time of 10 ms, anode / cathode time ratio of 1:1.

[0099] Comparative Case 3: Constant Potential Test of IrO2 Powder Catalyst Test parameters: 1.3 V (vs. SCE) constant potential test OER reaction stability to achieve a test current density of 10 mA / cm2.

[0100] Based on the above implementation cases and comparative cases, combined with the attached Figure 6-9 , from the attached Figure 6-9As can be seen in the figure, the parameters optimized by dynamic pulse voltage are closely related to the electrochemical behavior of the electrocatalyst. The potential can be quickly determined from the electrochemical cyclic voltammetry curve. The optimized anode potential / cathode potential duration ratio is consistent with the reaction kinetic rate ratio obtained through electrochemical impedance spectroscopy. Therefore, the duration ratio between the control time of the catalyst's anode potential and cathode potential can be preliminarily determined through electrochemical impedance spectroscopy.

[0101] Specifically, from Figure 6 The anode potential can be determined according to the required current density, and then combined with the above content (electrochemical cyclic voltammetry can measure the redox reaction and its position, and electrochemical scanning tunneling microscopy can obtain the morphological changes of the dynamic interface structure under different redox reactions. The inductively coupled plasma mass spectrometer determines the structural stability under the corresponding morphology by analyzing the components in the solution, and the unstable structure will dissolve into the solution. Raman obtains the vibration spectrum information of the dynamic interface structure and combines machine learning molecular dynamics simulation to interpret the atomic structure represented by the vibration spectrum. In this way, the structural information and properties of the reactions at different positions in the electrochemical cyclic voltammetry curve are determined) and the cathode potential with stable structure is selected from the cyclic voltammetry curve. Regarding the choice of control time, Figure 8 The OER stabilization time of different anode control time was tested, and it was found that 10ms was the best. Figure 9 It can be concluded that 1:1 is the best, and this ratio is the same as Figure 7 The reaction kinetic rate ratios were consistent with those measured by EIS.

[0102] based on Figure 10 and Figure 11 It can be proved that dynamic pulse voltage regulation can increase the reaction activity in acidic OER reaction by 2-4 times, and the reaction stability can be improved to more than 200 times that of constant potential test.

[0103] The following describes an embodiment of the device disclosed herein, which can be used to implement the electrocatalyst performance control method described in the above embodiments of the present disclosure. For details not disclosed in the device embodiment of the present disclosure, please refer to the embodiment of the electrocatalyst performance control method described in the above embodiments of the present disclosure.

[0104] Figure 12 A block diagram of an electrocatalyst performance control device according to one embodiment of the present disclosure is shown. For ease of explanation, certain steps of the above method are described as corresponding to modules. It should be understood that the corresponding modules for performing one or more steps of the above method can be one or more hardware modules specifically configured to perform the corresponding steps, or can be implemented by a processor configured to perform the corresponding steps, or can be stored in a computer-readable medium for implementation by a processor, or can be implemented by some combination thereof.

[0105] Reference Figure 12 As shown, the performance control device 120 of the electrocatalyst according to one embodiment of the present disclosure includes a first determination module 121 , a second determination module 122 , a generation module 123 and a processing module 124 .

[0106] The first determining module 121 is configured to determine the control range of the anode potential and the control range of the cathode potential in the target electrochemical reaction according to the electrochemical behavior of the target electrochemical reaction and the dynamic characteristics of the interface structure of the electrocatalyst.

[0107] The second determining module 122 is configured to determine the anode potential control time, the cathode potential control time, and a ratio between the anode potential control time and the cathode potential control time according to the kinetic characteristics and stability requirements of the electrocatalyst; The generating module 123 is configured to generate a corresponding pulse voltage according to the control interval, control duration, and duration ratio corresponding to the anode potential and the cathode potential; and The processing module 124 is configured to apply the pulse voltage to the electrocatalyst during the target electrochemical reaction to achieve performance control of the electrocatalyst.

[0108] In some embodiments of the present disclosure, the control range of the anode potential and the control range of the cathode potential in the target electrochemical reaction are determined based on the electrochemical behavior of the target electrochemical reaction and the dynamic characteristics of the interface structure of the electrocatalyst, including: determining the control range of the anode potential in the target electrochemical reaction based on the current density required for the target electrochemical reaction; and performing a stability analysis of the interface structure of the electrocatalyst of the target electrochemical reaction to determine the control range of the cathode potential in the target electrochemical reaction.

[0109] In some embodiments of the present disclosure, the control range of the anode potential in the target electrochemical reaction is determined based on the current density required for the target electrochemical reaction, including: obtaining an electrochemical cyclic voltammetry curve of the electrocatalyst; and determining the control range of the anode potential in the target electrochemical reaction in the electrochemical cyclic voltammetry curve based on the current density required for the target electrochemical reaction.

[0110] In some embodiments of the present disclosure, an interface structure stability analysis is performed on the electrocatalyst of the target electrochemical reaction to determine the control range of the cathode potential in the target electrochemical reaction, including: measuring the reduction reaction activity range of the electrocatalyst at the cathode potential; and screening out, from the reduction reaction activity range, the control range of the cathode potential that can achieve reversible recovery of the interface structure and the lowest metal dissolution amount.

[0111] In some embodiments of the present disclosure, the control duration of the anode potential, the control duration of the cathode potential, and the duration ratio between the two are determined according to the kinetic characteristics and stability requirements of the electrocatalyst, including: respectively determining the kinetic rates of the anode reaction and the cathode reaction of the electrocatalyst; and determining the control duration of the anode potential, the control duration of the cathode potential, and the duration ratio between the two that meet the stability requirements according to the ratio between the kinetic rate of the anode reaction and the kinetic rate of the cathode reaction.

[0112] In some embodiments of the present disclosure, the pulse voltage includes an anode potential and a cathode potential that are applied alternately and periodically, and the values of the anode potential and the cathode potential are within the numerical range of the corresponding control interval; or the waveform of the pulse voltage is any one of a square wave, a sawtooth wave, a sharp pulse, a triangular wave, a rectangular pulse or a step wave; or the electrocatalyst is an iridium-based catalyst, a ruthenium-based catalyst, a cobalt-based catalyst, a platinum-based catalyst, an iron-based catalyst, a copper-based catalyst or a nickel-based catalyst; or the target electrochemical reaction is a water electrolysis reaction, a hydrogen oxidation reaction or an oxygen reduction reaction, and the water electrolysis reaction includes a hydrogen evolution reaction and an oxygen evolution reaction.

[0113] In some embodiments of the present disclosure, the processing module 124 is further configured to apply the control ranges, control durations, and duration ratios of the anode potential and cathode potential determined in the first catalyst system to the second catalyst system.

[0114] The present disclosure also provides an electronic device. Figure 13 A schematic diagram showing a hardware implementation using a processing system is shown.

[0115] like Figure 13 As shown, the hardware structure of electronic device 1000 can be implemented using a bus architecture. The bus architecture can include any number of interconnecting buses and bridges, depending on the specific application and overall design constraints of the hardware. Bus 1100 connects various circuits including one or more processors 1200, memory 1300, and / or hardware modules. Bus 1100 can also connect various other circuits 1400 such as peripheral devices, voltage regulators, power management circuits, external antennas, etc. Bus 1100 can be an Industry Standard Architecture (ISA) bus, a Peripheral Component Interconnect (PCI) bus, or an Extended Industry Standard Component Architecture (EISA) bus. Buses can be divided into address buses, data buses, control buses, etc. For ease of illustration, the figure only uses a single connecting line, but this does not mean that there is only one bus or only one type of bus.

[0116] The present disclosure also provides a readable storage medium having a computer program stored therein, which is used to implement the above-mentioned method when the computer program is executed by a processor. "Readable storage medium" can be any device that can contain, store, communicate, propagate or transmit a program for use in an instruction execution system, device or equipment or in combination with these instruction execution systems, devices or equipment. More specific examples of readable storage media include the following: an electrical connection portion with one or more wirings (electronic device), a portable computer disk box (magnetic device), a random access memory (RAM), a read-only memory (ROM), an erasable and editable read-only memory (EPROM or flash memory), an optical fiber device, and a portable read-only memory (CDROM), etc.

[0117] The present disclosure also provides a computer program product. The method of the present disclosure can be implemented in whole or in part using software, hardware, firmware, or any combination thereof. When implemented using software, it can be implemented in whole or in part in the form of a computer program product. The computer program product includes one or more computer programs or instructions. When the computer program or instructions are loaded and executed, the process or function of the present disclosure is performed in whole or in part.

[0118] A computer program or instruction can be stored in a readable storage medium or transferred from one readable storage medium to another. For example, the computer program or instruction can be transferred from one website, computer, server, or data center to another website, computer, server, or data center via wired or wireless means. The readable storage medium can be any accessible medium or a data storage device such as a server or data center that integrates one or more accessible media. The accessible medium can be a magnetic medium such as a floppy disk, hard disk, or magnetic tape; an optical medium such as a digital video disk; or a semiconductor medium such as a solid-state drive. The computer-readable storage medium can be a volatile or non-volatile storage medium, or can include both volatile and non-volatile types of storage media.

[0119] Those skilled in the art will appreciate that the embodiments of the present disclosure may be provided as methods, systems, or computer program products. Therefore, the present disclosure may take the form of a complete hardware embodiment, a complete software embodiment, or an embodiment combining software and hardware. Furthermore, the present disclosure may take the form of a computer program product implemented on one or more computer-usable storage media (including but not limited to magnetic disk storage, CD-ROM, optical storage, etc.) containing computer-usable program code.

[0120] The present disclosure is described with reference to the flowcharts and / or block diagrams of the methods, apparatuses, electronic devices, and computer program products according to the present disclosure. It should be understood that each process and / or block in the flowcharts and / or block diagrams, as well as the combination of processes and / or blocks in the flowcharts and / or block diagrams, can be implemented by computer program instructions. These computer program instructions can be provided to a processor of a general-purpose computer, a special-purpose computer, an embedded processor, or other programmable data processing device to produce a machine, so that the instructions executed by the processor of the computer or other programmable data processing device generate instructions for implementing the processes in the flowcharts and / or block diagrams. Figure 1 a process or multiple processes and / or boxes Figure 1 A device that provides the functions specified in a block or multiple blocks.

[0121] These computer program instructions may also be stored in a computer readable memory that can direct a computer or other programmable data processing device to work in a specific manner, so that the instructions stored in the computer readable memory produce an article of manufacture comprising an instruction device, which implements the process Figure 1 a process or multiple processes and / or boxes Figure 1 The function specified in one or more boxes.

[0122] These computer program instructions can also be loaded onto a computer or other programmable data processing device so that a series of operational steps are executed on the computer or other programmable device to produce a computer-implemented process, thereby providing the instructions executed on the computer or other programmable device for implementing the process. Figure 1 a process or multiple processes and / or boxes Figure 1 A step that specifies a function in one or more boxes.

[0123] In the description of this specification, the description with reference to the terms "one embodiment / method", "some embodiments / methods", "example", "specific example", or "some examples" means that the specific features, structures, or characteristics described in conjunction with the embodiment / method or example are included in at least one embodiment / method or example of the present disclosure. In this specification, the schematic expressions of the above terms do not necessarily refer to the same embodiment / method or example. Moreover, the specific features, structures, or characteristics described may be combined in a suitable manner in any one or more embodiments / methods or examples. In addition, those skilled in the art may combine and combine different embodiments / methods or examples described in this specification and the features of different embodiments / methods or examples, unless they are contradictory.

[0124] Those skilled in the art will appreciate that the above embodiments are merely intended to clearly illustrate the present disclosure and are not intended to limit the scope of the present disclosure. Other changes or modifications may be made based on the above disclosure, and such changes or modifications are still within the scope of the present disclosure.

Claims

1. A method for controlling the performance of an electrocatalyst, characterized in that: include: Determining a control range of the anode potential and a control range of the cathode potential in the target electrochemical reaction based on the electrochemical behavior of the target electrochemical reaction and the dynamic characteristics of the interface structure of the electrocatalyst; Determining the control time of the anode potential, the control time of the cathode potential, and the ratio between the two time periods according to the kinetic characteristics and stability requirements of the electrocatalyst; Generate a corresponding pulse voltage according to the control interval, control duration, and duration ratio corresponding to the anode potential and the cathode potential; as well as During the reaction process of the target electrochemical reaction, the pulse voltage is applied to the electrocatalyst to achieve performance regulation of the electrocatalyst.

2. The method according to claim 1, wherein Determining the control range of the anode potential and the control range of the cathode potential in the target electrochemical reaction based on the electrochemical behavior of the target electrochemical reaction and the dynamic characteristics of the interface structure of the electrocatalyst includes: Determining a control range of the anode potential in the target electrochemical reaction according to the current density required by the target electrochemical reaction; An interface structure stability analysis is performed on the electrocatalyst of the target electrochemical reaction to determine a control range of the cathode potential in the target electrochemical reaction.

3. The method according to claim 2, wherein Determining the control range of the anode potential in the target electrochemical reaction according to the current density required by the target electrochemical reaction includes: Obtaining electrochemical cyclic voltammetry curves of electrocatalysts; According to the current density required by the target electrochemical reaction, the control range of the anode potential in the target electrochemical reaction is determined in the electrochemical cyclic voltammetry curve.

4. The method according to claim 2, wherein Performing an interface structure stability analysis on the electrocatalyst of the target electrochemical reaction to determine the control range of the cathode potential in the target electrochemical reaction includes: Determine the reduction reaction activity range of electrocatalysts at cathodic potential; From the reduction reaction activity range, a control range of cathode potential that can achieve reversible recovery of the interface structure and minimize metal dissolution is screened out.

5. The method according to claim 1, wherein Determining the control time of the anode potential, the control time of the cathode potential, and the ratio between the two times according to the kinetic characteristics and stability requirements of the electrocatalyst includes: determining the kinetic rates of the anodic reaction and the cathodic reaction of the electrocatalyst, respectively; According to the ratio between the kinetic rate of the anode reaction and the kinetic rate of the cathode reaction, the control time of the anode potential, the control time of the cathode potential and the ratio of the time between the two that meet the stability requirements are determined.

6. The method according to any one of claims 1 to 5, wherein The pulse voltage includes an anode potential and a cathode potential that are applied alternately and periodically, and the values of the anode potential and the cathode potential are within the value range of the corresponding control interval; or The waveform of the pulse voltage is any one of a square wave, a sawtooth wave, a sharp pulse, a triangle wave, a rectangular pulse or a step wave; or The electrocatalyst is an iridium-based catalyst, a ruthenium-based catalyst, a cobalt-based catalyst, a platinum-based catalyst, an iron-based catalyst, a copper-based catalyst or a nickel-based catalyst; or The target electrochemical reaction is a water electrolysis reaction, a hydrogen oxidation reaction or an oxygen reduction reaction, and the water electrolysis reaction includes a hydrogen evolution reaction and an oxygen evolution reaction.

7. The method according to claim 1, wherein The method further comprises: The control ranges, control durations, and duration ratios of both the anode potential and the cathode potential determined in the first catalyst system are applied to the second catalyst system.

8. A performance control device for an electrocatalyst, characterized in that: include: a first determination module for determining a control range of an anode potential and a control range of a cathode potential in the target electrochemical reaction according to the electrochemical behavior of the target electrochemical reaction and the dynamic characteristics of the interface structure of the electrocatalyst; a second determining module, configured to determine a control time of the anode potential, a control time of the cathode potential, and a ratio between the control time and the cathode potential according to the kinetic characteristics and stability requirements of the electrocatalyst; A generating module, configured to generate a corresponding pulse voltage according to the control interval, control duration, and duration ratio corresponding to the anode potential and the cathode potential; as well as The processing module is used to apply the pulse voltage to the electrocatalyst during the reaction process of the target electrochemical reaction to achieve performance regulation of the electrocatalyst.

9. An electronic device, characterized in that: include: a memory storing execution instructions; as well as A processor, wherein the processor executes the execution instructions stored in the memory, so that the processor executes the method according to any one of claims 1 to 7.

10. A computer program product comprising a computer program, characterized in that When the computer program is executed by a processor, the method according to any one of claims 1 to 7 is implemented.

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