Amorphous material and preparation method thereof

Abstract

The invention provides an amorphous material and a preparation method thereof. Wherein the amorphous material comprises an AlCrMoTiSi matrix and a plurality of catalyst metal single atoms. The AlCrMoTiSi matrix is in an amorphous state and is provided with a plurality of active sites. A plurality of catalyst metal single atoms are coordinated with the plurality of active sites and are uniformly dispersed in the AlCrMoTiSi matrix, so that the catalytic activity of the amorphous material is improved, and the plurality of catalyst metal single atoms are prevented from clustering.

Description

Technical Field

[0001] The present application relates to the field of material technology, and in particular to an amorphous material and a preparation method thereof. Background Art

[0002] Currently, many chemical reactions rely on catalysts to significantly increase the reaction rate. Precious metals have become efficient catalytic materials due to their unique electronic structure. However, the scarcity and high cost of precious metals limit their widespread application. Catalytic reactions are essentially surface reactions. Therefore, under the current situation where non-precious metal catalysts are difficult to completely replace precious metals, reducing the size of precious metals to increase their utilization has become a key strategy to resolve the contradiction between cost and performance, especially refining the metals to the atomic level. Although this method greatly improves the utilization efficiency of precious metals, excessively small size can easily lead to catalyst agglomeration and reduce the effective exposure of active sites. In addition, the activity of precious metal atoms also depends on the distribution and number of defects on the support surface. Conventional supports have a low defect ratio and insufficient loading, which further affects the catalytic performance of precious metal atoms. Summary of the Invention

[0003] The present application provides an amorphous material and a preparation method thereof. The amorphous material comprises an AlCrMoTiSi matrix and a plurality of catalyst metal atoms, wherein coordination bonds are formed between the catalyst metal atoms and the plurality of active sites provided by the AlCrMoTiSi matrix, thereby improving the catalytic activity of the amorphous material while avoiding clustering of the catalyst metal atoms.

[0004] To achieve the above objectives, the embodiments of the present application adopt the following technical solutions:

[0005] In a first aspect, an embodiment of the present application provides an amorphous material, comprising: an AlCrMoTiSi matrix, which is amorphous; and a plurality of catalyst metal atoms, which are uniformly dispersed in the AlCrMoTiSi matrix.

[0006] According to some embodiments of the present application, the AlCrMoTiSi matrix has a plurality of active sites; and the plurality of catalyst metal single atoms form coordination bonds with the plurality of active sites.

[0007] According to some embodiments of the present application, the AlCrMoTiSi matrix includes: a base Si, on which Al, Cr, Mo, Ti and deposited Si materials are deposited that are uniformly mixed at the atomic level; the molar ratio of the Al, the Cr, the Mo, the Ti and the Si is 1:1:1:1:1.

[0008] According to some embodiments of the present application, the plurality of catalyst metal single atoms include a plurality of Pt single atoms.

[0009] According to some embodiments of the present application, the molar ratio of the AlCrMoTiSi matrix to the multiple Pt single atoms ranges from 9:1 to 99:1, wherein the molar ratio of the AlCrMoTiSi matrix to the amorphous material is between 90%-99%, and the molar ratio of the multiple Pt single atoms to the amorphous material is between 1%-10%.

[0010] According to some embodiments of the present application, the plurality of catalyst metal single atoms include a plurality of Pd single atoms.

[0011] According to some embodiments of the present application, the molar ratio of the AlCrMoTiSi matrix to the multiple Pd single atoms ranges from 9:1 to 99:1, wherein the molar ratio of the AlCrMoTiSi matrix to the amorphous material is between 90%-99%, and the molar ratio of the multiple Pd single atoms to the amorphous material is between 1%-10%.

[0012] According to some embodiments of the present application, the plurality of catalyst metal single atoms include a plurality of Ir single atoms.

[0013] According to some embodiments of the present application, the molar ratio of the AlCrMoTiSi matrix to the multiple Ir atoms ranges from 9:1 to 99:1, wherein the molar ratio of the AlCrMoTiSi matrix to the amorphous material is between 90%-99%, and the molar ratio of the multiple Ir atoms to the amorphous material is between 1%-10%.

[0014] In a second aspect, an embodiment of the present application provides a method for preparing an amorphous material, wherein the amorphous material includes a target matrix and a catalyst metal, comprising: determining data of the target matrix from a plurality of high entropy alloys through an amorphization critical cooling rate model, wherein the target matrix includes an AlCrMoTiSi matrix; determining ratio range data of the target matrix to the catalyst metal from the ratios of a plurality of target matrixes to the catalyst metal through an amorphization critical cooling rate model; and manufacturing an amorphous material as described in any one of the above-mentioned first aspects based on the target matrix data and the ratio range data.

[0015] According to some embodiments of the present application, the data of the target matrix is ​​determined from a plurality of high entropy alloys through an amorphization critical cooling rate model, and the target matrix includes an AlCrMoTiSi matrix, including: determining a plurality of first critical cooling rates corresponding one-to-one to the plurality of high entropy alloys through the amorphization critical cooling rate model, wherein the plurality of high entropy alloys include an AlCrMoTiSi matrix; and determining the data of the target matrix based on a preset first target standard and the plurality of first critical cooling rates.

[0016] According to some embodiments of the present application, the first target standard at least includes: a critical cooling rate for amorphization of the target substrate is less than a preset first critical cooling rate.

[0017] According to some embodiments of the present application, the method of determining the ratio range data of the target matrix to the catalyst metal from the ratios of multiple target matrixes to the catalyst metal through the crystallization critical cooling rate model includes: determining multiple second critical cooling rates corresponding one-to-one to multiple high entropy alloys through the amorphization critical cooling rate model, wherein the ratios of the target matrix of the multiple high entropy alloys to the catalyst metal are different; and determining the ratio range data of the target matrix to the catalyst metal based on a preset second target standard and the multiple second critical cooling rates.

[0018] According to some embodiments of the present application, the second target standard at least includes: a critical cooling rate for amorphization of the amorphous material is less than a preset second critical cooling rate.

[0019] According to some embodiments of the present application, the manufacturing based on the data of the target substrate and the proportion range data includes: uniformly depositing the atoms in the target substrate and the atoms of the catalyst metal on the Si substrate in a preset proportion through vacuum sputtering technology to obtain the amorphous material.

[0020] According to some embodiments of the present application, the atoms in the target matrix and the catalyst metal atoms are uniformly deposited on the Si substrate in a preset proportion by the vacuum sputtering technology to obtain the amorphous material, including: preparing a target matrix target material and a catalyst metal target material; placing the target matrix target material, the catalyst metal target material and the Si substrate in a vacuum container; and uniformly depositing the atoms of the target matrix target material and the catalyst metal target material on the Si substrate by the magnetron sputtering technology, thereby obtaining the amorphous material.

[0021] According to some embodiments of the present application, the preset ratio is controlled by the areas of the target substrate target and the catalyst metal target.

[0022] According to some embodiments of the present application, the catalyst metal includes at least one of Pt, Pd, or Ir. BRIEF DESCRIPTION OF THE DRAWINGS

[0023] In order to more clearly illustrate the technical solutions in the embodiments of this specification, the following briefly introduces the drawings required for use in the description of the embodiments. Obviously, the drawings described below are only some embodiments of this specification. For ordinary technicians in this field, other drawings can be obtained based on these drawings without any creative work.

[0024] Figure 1shows a graph showing the relationship between metal size and atomic utilization according to an embodiment of the present specification;

[0025] Figure 2 A graph showing the relationship between metal size and metal switching frequency according to an embodiment of the present specification is shown;

[0026] Figure 3 shows a graph showing the relationship between metal size and surface free energy provided by an embodiment of this specification;

[0027] Figure 4 shows an aberration-corrected image of a Pt / ZnO nanobelt model catalyst taken using a high-angle annular dark-field scanning transmission electron microscope (HAADF-STEM) according to an embodiment of the present specification;

[0028] Figure 5A Schematic diagram of atomic arrangement of a crystalline alloy provided according to an embodiment of this specification is shown;

[0029] Figure 5B Schematic diagram of atomic arrangement of an amorphous alloy provided according to an embodiment of this specification is shown;

[0030] Figure 6 The present invention shows a method for preparing an amorphous material according to an embodiment of the present invention;

[0031] Figure 7 A schematic diagram illustrating an inference process of a target network provided according to an embodiment of this specification is shown;

[0032] Figure 8 shows a grazing incidence X-ray diffraction (GIXRD) pattern of the AlCrMoTiSi system provided according to the examples of this specification;

[0033] Figure 9 The (AlCrMoTiSi) provided in accordance with the embodiment of this specification is shown. 0.95 Pt 0.05 Morphological characterization of the film;

[0034] Figure 10 shows a polarization curve diagram of an AlCrMoTiSi series thin film provided according to an embodiment of this specification;

[0035] Figure 11 shows a comparison diagram of overpotentials of AlCrMoTiSi series thin films provided according to the embodiments of this specification;

[0036] Figure 12 A comparison diagram of the Tafel slopes of AlCrMoTiSi series thin films provided according to the embodiments of this specification is shown. DETAILED DESCRIPTION

[0037] The following description provides specific application scenarios and requirements for this specification, with the goal of enabling those skilled in the art to make and use the contents of this specification. Various modifications to the disclosed embodiments will be readily apparent to those skilled in the art, and the general principles defined herein may be applied to other embodiments and applications without departing from the spirit and scope of this specification. Therefore, this specification is not limited to the embodiments shown, but is intended to be accorded the broadest scope consistent with the claims.

[0038] The terms used herein are for the purpose of describing specific example embodiments only and are not intended to be limiting. For example, as used herein, the singular forms "a," "an," and "the" may also include the plural forms unless the context clearly indicates otherwise. When used in this specification, the terms "comprise," "include," and / or "contain" are intended to refer to the presence of the associated integers, steps, operations, elements, and / or components, but do not preclude the presence of one or more other features, integers, steps, operations, elements, components, and / or groups or the addition of other features, integers, steps, operations, elements, components, and / or groups in the system / method.

[0039] In this application, "X includes at least one of A, B, or C" means that X includes at least A (Xincludes atleast A), or X includes at least B (Xincludes atleast B), or X includes at least C (Xincludes atleast C). In other words, X can include only any combination of A, B, and C, or any combination of A, B, and C as well as other possible content / elements. The arbitrary combination of A, B, and C can be A, B, C, AB, AC, BC, or ABC.

[0040] These and other features of this specification, as well as the operation and function of the associated elements of the structure, and the economical assembly and manufacture of the components, can be significantly improved with consideration of the following description. The description also includes all figures and text referenced in the drawings herein, all of which form a part of this specification. However, it should be expressly understood that the drawings are for illustration and description purposes only and are not intended to limit the scope of this specification. It should also be understood that the drawings are not drawn to scale.

[0041] Due to their unique electronic structures, precious metals exhibit exceptional catalytic properties, making them core materials for many highly efficient catalytic processes. Given that catalytic reactions are essentially surface reactions, the utilization of precious metals directly determines catalytic efficiency. Therefore, increasing their utilization is particularly important.

[0042] Figure 1 The figure shows the relationship between the metal size and the atomic utilization rate provided in the embodiments of this specification. Among them, the atomic utilization rate refers to the proportion of metal atoms that actually participate in the effective reaction or function in the chemical reaction process to the total metal atoms input. High atomic utilization rate means that more metal atoms are effectively used as active centers in the catalyst. In the field of catalysis, the atomic utilization rate can be significantly improved by reducing the size of precious metal particles to nanometer or even atomic level, because more atoms are exposed to the surface to become active sites, thereby enhancing the catalytic efficiency and reducing the use of expensive materials. As shown in Figure 1 As shown in Figure 1, the atomic size of a metal is inversely proportional to its atomic activity, i.e., the smaller the atomic size of a metal, the higher the atomic activity. Atomic activity is highest when the metal is a single atom.

[0043] Figure 2 A graph showing the relationship between the metal size and the metal conversion frequency provided in accordance with the embodiments of this specification is shown. Among them, the conversion frequency (TOF) is a key indicator for measuring the activity of the catalyst in the catalytic process. The conversion frequency represents the number of reactant molecules that can be converted at each active site per unit time. Specifically, the conversion frequency reflects the efficiency of the catalyst, that is, under given conditions, how many reactant molecules can be converted into products per second at each active center of the catalyst on average. A high conversion frequency value means that the catalyst can process more reactants in a shorter time, indicating that it has higher catalytic activity and efficiency. Take metal Pt as an example. As Figure 2 As shown in Figure 2, the smaller the size of the Pt metal, the higher the switching frequency of the Pt metal. In particular, when the Pt metal appears in a single-atom state, the switching frequency reaches the highest.

[0044] Figure 3 The figure shows the relationship between metal size and surface free energy according to the embodiment of this specification. Surface free energy is an important parameter to measure the stability of metal surface. In metal materials, surface atoms have fewer interactions with neighboring atoms than internal atoms, resulting in surface atoms being in a higher energy state. This energy difference is the surface free energy. Higher surface free energy means that the metal surface is more active and prone to physical or chemical changes. Figure 3 As shown in Figure 1, the surface free energy of a single atom is the highest. This means that metals are more active and more prone to chemical reactions when they are in a single-atom state.

[0045] Figure 4The aberration-corrected image of the high-angle annular dark field scanning transmission electron microscope (HAADF-STEM) of the Pt / ZnO nanobelt model catalyst provided in accordance with the embodiments of this specification is shown. The aberration-corrected HAADF-STEM image is an image of the material microstructure obtained using advanced transmission electron microscopy technology. The aberration-corrected HAADF-STEM image of the Pt / ZnO nanobelt model catalyst shows an atomic-level resolution image obtained by combining high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) with aberration correction technology. Figure 4 As shown in the figure, in addition to isolated Pt single atoms (arrow A), there are also various cluster morphologies in the Pt nanoclusters deposited on ZnO nanobelts by wet chemical methods, including polyhedral clusters (arrow B), disordered or amorphous clusters (arrow C), reconstructed surface atoms (arrow D), strained clusters (arrow E), and unsaturated attached atoms (arrow F). These agglomeration phenomena seriously limit the utilization efficiency of precious metals.

[0046] Depend on Figures 1-4 It can be seen that as the size of metal particles decreases, their catalytic activity increases significantly, especially at the atomic level, where the catalytic activity reaches its highest level. This is because smaller metal particles have a higher surface atomic ratio and atomic utilization, thereby enhancing the efficiency of the catalytic reaction. However, when the size of metal particles is reduced to the nanometer or even atomic level, their surface energy increases, making clustering more likely to occur (i.e., small particles aggregate to form larger agglomerates). This clustering not only reduces the number of effective active sites, but may also lead to catalyst deactivation or performance degradation.

[0047] In view of this point, the present specification provides an amorphous material and a preparation method thereof. The amorphous material includes an AlCrMoTiSi matrix and a plurality of catalyst metal single atoms. Among them, the AlCrMoTiSi matrix is ​​amorphous and has a plurality of active sites. A plurality of catalyst metal single atoms are uniformly dispersed in the AlCrMoTiSi matrix, and are firmly anchored by forming coordination bonds with a plurality of active sites, thereby avoiding clustering of the plurality of catalyst metal single atoms. Through the coordination between the AlCrMoTiSi matrix and the plurality of catalyst metal single atoms, the catalyst metal exists stably in a single-atom state, and clustering does not occur between the plurality of catalyst metal single atoms, so that the amorphous material has both high catalytic activity and high stability.

[0048] Figure 5A Schematic diagram of atomic arrangement of a crystalline alloy provided according to an embodiment of this specification is shown; Figure 5B Schematic diagram of atomic arrangement of an amorphous alloy provided in accordance with an embodiment of this specification is shown. Figure 5AAs shown in Figure 2, in catalytic reactions, the active atoms in traditional crystalline alloy structures are confined to the oriented lattice, the loading capacity is limited, and nanoparticles or clusters are easily formed during the preparation or reaction process, which reduces the catalytic efficiency. Figure 5B As shown, the presence of multiple heteroatoms around each catalyst metal atom in an amorphous alloy creates a larger control space; the highly coordinated unsaturated environment increases the loading capacity of the catalyst metal atoms; and the good atomic-level dispersion ensures the uniform distribution of the catalyst metal atoms on the effective surface. By utilizing the highly coordinated unsaturated bonds of the amorphous alloy to stably anchor the catalyst metal atoms, not only is the uniform dispersion of the catalyst metal atoms achieved, but the utilization rate of the catalyst metal is also greatly improved. Therefore, the use of amorphous strategies to develop efficient and stable catalysts has shown great application potential.

[0049] In the first aspect, the present application provides a method for preparing an amorphous material. This method can screen and prepare a combination of a target matrix and a catalyst metal with specific properties according to different application scenarios. Among them, the method ensures that the target matrix forms an amorphous structure by precisely controlling the screening process and the preparation process, thereby having multiple active sites. These active sites provide ideal anchoring points for loading the catalyst metal. The catalyst metal can be evenly dispersed in the target matrix and firmly anchored by forming stable coordination bonds with the active sites, thereby avoiding clustering of metal single atoms in the catalyst metal.

[0050] It should be noted that this method is highly flexible and scalable, and can be used to prepare a variety of similar amorphous materials. It only needs to adjust the composition of the target matrix and the type of catalyst metal to meet the needs of different application scenarios. For example, in the field of petrochemicals, Pt (platinum) can be selected as a catalyst metal to improve the selectivity and efficiency of hydrogenation reactions. For example, in the field of fine chemicals, Ir (iridium) can be selected as a catalyst metal to improve the efficiency and product purity of selective oxidation reactions. For example, in environmental governance, Pd (palladium) can be used as a catalyst metal to enhance the effect of exhaust gas purification reactions. For another example, in the field of energy storage and conversion, Ru (ruthenium) can be selected as a catalyst metal to improve the performance of batteries or fuel cells. It should be noted that the above-mentioned catalyst metal is only one of a variety of catalyst metals, and other types of catalyst metals are also within the scope of protection of this specification.

[0051] Figure 6 A method P500 for preparing an amorphous material according to an embodiment of the present disclosure is shown. The method P500 includes steps S510 to S530.

[0052] S510: Determine data of a target matrix from a plurality of high entropy alloys using an amorphization critical cooling rate model, wherein the target matrix includes an AlCrMoTiSi matrix.

[0053] The critical cooling rate model for amorphization is a theoretical framework for estimating the minimum cooling rate required for an alloy system to form a fully amorphous state. By determining the minimum cooling rate required for a specific alloy composition to avoid crystallization and form a stable amorphous structure during rapid cooling, the model aids in the screening and design of materials with excellent glass-forming ability.

[0054] The amorphization critical cooling rate model can be a neural network model. The model can be obtained through model training. The model training process is as follows:

[0055] (1) Obtain experimental values ​​of the critical cooling rate for amorphization of Y sample materials, each of which includes at least one element.

[0056] Where Y is an integer greater than 1. Different sample materials may contain different numbers of elements and different percentages of the elements. For example, a sample material may be an alloy. For example, in the sample material Ti63Be37, 63 represents the percentage of Ti, and 37 represents the percentage of Be.

[0057] This manual collects experimental data corresponding to 119 metallic glasses, and after cleaning them, obtains the experimental values ​​of the critical cooling rate of amorphization for each of Y sample materials.

[0058] (2) For each sample material, based on the proportion information of at least one element in the sample material and the attribute values ​​of X attributes corresponding to the at least one element, K descriptors for describing the sample material are generated, and N1 core descriptors and K1 non-core descriptors are determined from the K descriptors. The core descriptor has a higher influence on the critical cooling rate of amorphization than the non-core descriptor, and K1 = K-N1.

[0059] The X attributes include at least two of the following dimensions: the periodic table dimension; the thermodynamic dimension; the physics dimension; and the crystallographic dimension. In this embodiment, multiple dimensions of elemental properties are considered. The resulting K descriptors can more comprehensively characterize the sample material, covering a wide range of material properties and avoiding the omission of important descriptors. This provides a good foundation for improving the prediction accuracy and generalization ability of the target network.

[0060] (3) Part of the K descriptors corresponding to each sample material is input into the target network for prediction, and the predicted value corresponding to the critical cooling rate of amorphization of the sample material is obtained. Wherein: the target network includes multiple sub-networks with the same structure and arranged in a hierarchy, each sub-network includes N input nodes and 1 output node, the output node of the sub-network in the i-th level serves as the input node of the sub-network in the i+1-th level, each sub-network in the first level is input with the N1 core descriptors and N2 non-core descriptors, the N2 non-core descriptors are part of the K1 non-core descriptors, and the non-core descriptors input to different sub-networks are not exactly the same, N2 = N-N1.

[0061] Where X, K, K1, N1, N2, Y, and N are all integers greater than 1, and i is an integer greater than or equal to 1. Using the target network can avoid overfitting when there are many descriptors but insufficient sample material. It should be noted that each subnetwork can have different weighting factors during training.

[0062] Figure 7 FIG2 shows a schematic diagram of the inference process of the target network provided in accordance with an embodiment of the present specification. Figure 7 The training system 100 generates m1 groups of descriptors based on the K descriptors, each group of descriptors including the N1 core descriptors and N-N1 non-core descriptors; the m1 groups of descriptors are respectively input into the m1 sub-networks of the first layer of the target network to obtain m1 intermediate prediction values ​​of the critical amorphization cooling rate; the mi-1 intermediate prediction values ​​of the critical amorphization cooling rate obtained by the mi-1 sub-networks of the i-1 layer of the target network are divided into mi groups in the order of i from 2 to F, and then input into the mi sub-networks of the i-1 layer of the target network to obtain mi intermediate prediction values ​​of the critical amorphization cooling rate; and the intermediate prediction value of the critical amorphization cooling rate output by the sub-network of the F-th layer is used as the final prediction value of the critical amorphization cooling rate. Wherein, m1, F, and mi-1 are all integers greater than 1, and mi is an integer greater than or equal to 1.

[0063] In this embodiment, K descriptors are divided into multiple groups and input into multiple sub-networks, which can avoid the problem of overfitting of the sub-network due to the excessive number of hyperparameters required to train the sub-network due to insufficient sample materials. Figure 7The hierarchical structure of the target network shown here allows descriptors to be distributed across multiple subnetworks, preventing overfitting. This allows the number of descriptors to be expanded to 909, enriching the material characterization dimensionality. Each subnetwork requires only a small number of input descriptors, resolving the machine learning paradox of a large number of descriptors and a small number of sample materials. Furthermore, testing (see below for details) has shown that the target network can fully utilize information from a large number of descriptors, achieving higher prediction accuracy than other neural networks, facilitating the study of amorphous materials.

[0064] (4) The parameters of the target network are updated with the training goal of minimizing the difference between the predicted value and the experimental value of the critical cooling rate of amorphization of the sample material.

[0065] In this manual, the amorphization critical cooling rate model evaluates the critical cooling rate required for the alloy to form a completely amorphous state, and screens out amorphous materials with stable amorphous structures in actual preparation, thereby providing a systematic screening tool and scientific basis for the design and development of high-performance amorphous materials.

[0066] Amorphous materials consist of a target matrix and a catalyst metal. The target matrix is ​​an alloy combination capable of forming a stable amorphous structure under practical preparation conditions. Compared to alloy combinations with crystalline structures, the target matrix is ​​easier to amorphize and generally possesses higher thermal stability and abundant active sites, ensuring that the selected material exhibits excellent performance in applications such as catalysis. The catalyst metal forms coordination bonds with the active sites and is uniformly dispersed in the target matrix, thereby maximizing the exposure of the active centers and enhancing the adsorption and activation efficiency of the reactant molecules.

[0067] The target matrix can be a variety of alloy systems, among which the target matrix includes an AlCrMoTiSi matrix. Specifically, due to its unique composition and structural characteristics, the AlCrMoTiSi matrix can form a stable amorphous state during rapid cooling and provide abundant active sites, thereby exhibiting excellent activity and stability in catalytic reactions. It should be noted that other alloy systems obtained by screening the amorphization critical cooling rate model are also within the scope of protection of this specification and are not described in detail here.

[0068] The target matrix can be determined by the target matrix data. Among them, the target matrix data refers to the key parameters corresponding to the target matrix obtained from the amorphization critical cooling rate model. These data not only include the specific components of the target matrix (such as the elemental composition of the AlCrMoTiSi matrix is ​​Al, Cr, Mo, Ti, Si, etc.), but also cover information such as the precise ratio between the elements. It is worth noting that these data are not obtained directly through experiments, but are textual descriptions and numerical results predicted by the amorphization critical cooling rate model.

[0069] This solution can determine target substrate data from multiple high-entropy alloys using an amorphization critical cooling rate model. Specifically, this solution can determine multiple first critical cooling rates corresponding to the multiple high-entropy alloys using the amorphization critical cooling rate model. The target substrate data is determined based on a preset first target standard and the multiple first critical cooling rates. It is understood that the multiple high-entropy alloys include AlCrMoTiSi alloys.

[0070] Among them, the first target criterion is a key indicator to ensure that the selected target matrix is ​​suitable as an efficient catalyst carrier. Among them, in some embodiments, the first target criterion can be that the critical cooling rate of amorphization of the target matrix is ​​less than the preset first critical cooling rate. Specifically, the preset first critical cooling rate is the minimum cooling rate required for the target matrix to form a completely amorphous state. In the case where the critical cooling rate of amorphization of the target matrix is ​​less than the preset first critical cooling rate, the target matrix can form a stable amorphous state during rapid cooling and provide abundant active sites, thereby showing excellent activity and stability in the catalytic reaction. It should be noted that the preset first critical cooling rate can be designed according to the specific scenario and is not limited here.

[0071] In some embodiments, the first target criterion may be that the amorphization critical cooling rate of the target substrate is less than the other first critical cooling rates among the multiple first critical cooling rates. Specifically, each high entropy alloy among the multiple high entropy alloys corresponds to a first critical cooling rate, that is, multiple high entropy alloys correspond to multiple first critical cooling rates. Among the multiple first critical cooling rates, the minimum cooling rate among the multiple first critical cooling rates can be selected. The high entropy alloy corresponding to the minimum cooling rate is the target substrate. The target substrate selected in this way is more likely to form a stable amorphous structure during the actual preparation process, thereby simplifying the screening process.

[0072] The following is an example of the process of determining target matrix data from multiple high entropy alloys using the amorphization critical cooling rate model.

[0073] For example, the target matrix is ​​an AlCrMoTiSi matrix. The data of the target matrix is ​​the elemental composition of the AlCrMoTiSi matrix. A series of multiple high entropy alloys with different elemental compositions are selected, such as AlCrMoTiSi, FeCoNiCr, AlCrCuNb, etc. The elemental composition of the multiple high entropy alloys is input into the amorphization critical cooling rate model. The amorphization critical cooling rate model is used to predict multiple first critical cooling rates corresponding to the multiple high entropy alloys. Among the multiple first critical cooling rates, the minimum cooling rate among the multiple first critical cooling rates is selected as the target first critical cooling rate, and the high entropy alloy corresponding to the target first critical cooling rate is determined as the target matrix, and then the elemental composition data of the target matrix is ​​determined.

[0074] For example, the target matrix is ​​AlCrMoTiSi matrix. The data of the target matrix is ​​the precise ratio between the elements comprising the AlCrMoTiSi matrix. Similarly, a series of high entropy alloys with different element ratios and containing Al, Cr, Mo, Ti, and Si elements are selected, such as AlCrMoTiSi, Al 0.5 Cr1Mo1Ti1Si1、Al1Cr 1.5 Mo1Ti1Si1, Al1Cr1Mo2Ti1Si1, etc. The elemental composition of the multiple high entropy alloys is input into the amorphization critical cooling rate model. The amorphization critical cooling rate model is used to predict multiple first critical cooling rates corresponding to the multiple high entropy alloys. The multiple first critical cooling rates are respectively compared with the preset first critical cooling rate to obtain comparison results. In the comparison results, a target first critical cooling rate that is less than the preset first critical cooling rate is determined. The high entropy alloy corresponding to this target first critical cooling rate is determined as the target matrix, and then the ratio data between the elements in the target matrix are determined.

[0075] After the data of the target substrate is determined, the ratio range data of the target substrate and the catalyst metal can be determined by using the amorphization critical cooling rate model.

[0076] S520: Determine the ratio range data of the target substrate to the catalyst metal from the ratios of multiple target substrates to the catalyst metal using an amorphization critical cooling rate model.

[0077] Catalyst metals refer to metal components in substances that can accelerate the reaction rate in a chemical reaction but do not participate in the formation of the final product. Catalyst metals speed up the reaction by providing a different reaction pathway and reducing the activation energy of the reaction. Catalyst metals are widely used in various industrial processes, such as petroleum refining, automobile exhaust treatment, chemical synthesis, etc. Catalyst metals include but are not limited to platinum (Pt), palladium (Pd), rhodium (Rh), gold (Au), silver (Ag), nickel (Ni), cobalt (Co), Ir (iridium) and copper (Cu). These catalyst metals can be used alone or combined into alloys. When using catalyst metals, by dispersing the catalyst metal in the form of single atoms on the target substrate, the surface area utilization rate and the number of active sites of the catalyst metal can be increased, thereby improving the catalytic efficiency.

[0078] The ratio range of the target substrate to the catalyst metal has a crucial influence on the catalytic performance of the amorphous material. The appropriate ratio can ensure that the catalyst metal is evenly dispersed on the substrate, maximize the exposure of active sites, and thus improve the catalytic efficiency and selectivity. If the catalyst metal ratio is too low, the catalyst metal cannot fully utilize the surface area provided by the target substrate, which may lead to insufficient active sites and reduce the overall catalytic effect. On the contrary, if the catalyst metal ratio is too high, it may cause aggregation between the catalyst metals, reduce the actual available active surface area, and increase costs. Therefore, determining a suitable ratio range of the target substrate to the catalyst metal can not only improve the catalytic performance, but also reduce costs while ensuring efficient catalysis, thereby maximizing economic and environmental benefits.

[0079] This solution can determine a target substrate to catalyst metal ratio range data from multiple target substrate to catalyst metal ratios using an amorphization critical cooling rate model. Specifically, this solution can determine multiple second critical cooling rates corresponding to multiple high-entropy alloys using the amorphization critical cooling rate model. The multiple high-entropy alloys have different target substrate to catalyst metal ratios. Based on a preset second target standard and the multiple second critical cooling rates, the target substrate to catalyst metal ratio range data is determined.

[0080] Among them, the second target standard can be that the critical cooling rate of amorphous material for amorphous material is less than the preset second critical cooling rate. Specifically, the preset second critical cooling rate is the minimum cooling rate required for the amorphous material to form a completely amorphous state. When the critical cooling rate of amorphous material for amorphous material is less than the preset second critical cooling rate, the amorphous material can maintain a stable amorphous structure and have a higher catalytic activity. Obviously, the lower the critical cooling rate of amorphous material, the lower the technical difficulty of producing amorphous material. For example, the second critical cooling rate can be 500K / s. It should be noted that the preset second critical cooling rate can be the same as or different from the preset first critical cooling rate. The specific situation is determined according to the experimental design and is not limited here.

[0081] The following is an example of the process of determining the target substrate to catalyst metal ratio range data.

[0082] The catalyst metal is determined to be Pt. Therefore, it is necessary to select a series of high entropy alloys with different AlCrMoTiSi and Pt ratios, such as (AlCrMoTiSi) 0.99 Pt 0.01 、(AlCrMoTiSi) 0.95 Pt 0.05 、(AlCrMoTiSi) 0.90 Pt 0.1 Etc. Input the elemental composition of the multiple high entropy alloys into the amorphization critical cooling rate model. Predict multiple second critical cooling rates corresponding to the multiple high entropy alloys through the amorphization critical cooling rate model. Compare the multiple second critical cooling rates with the preset second critical cooling rate of 500K / s to obtain comparison results. In the comparison results, the cooling rate less than 500K / s is determined to be the target second critical cooling rate. And determine that the high entropy alloy corresponding to this target second critical cooling rate is an amorphous material, and then determine the ratio range data of the target matrix and the catalyst metal in the amorphous material.

[0083] S530: Producing an amorphous material based on the target substrate data and the ratio range data.

[0084] Amorphous materials can be obtained in many ways. For example, vacuum sputtering, chemical vapor deposition (CVD), physical vapor deposition (PVD), molecular beam epitaxy (MBE), atomic layer deposition (ALD), etc. This program uses vacuum sputtering technology as an example to illustrate how to manufacture amorphous materials. Among them, vacuum sputtering technology is a technology that deposits a target material onto a substrate through a physical process in a vacuum environment to form a thin film. Specifically, this technology first fills a vacuum chamber with an appropriate amount of inert gas (such as argon). Then a high voltage is applied to generate plasma, which ionizes the gas atoms into positive ions and electrons. These positive ions bombard the target material under the acceleration of the electric field, thereby "sputtering" out the atoms or molecules of the target material and depositing them on a nearby substrate to form a thin film.

[0085] Among them, vacuum sputtering technology includes but is not limited to DC sputtering technology, radio frequency sputtering technology, magnetron sputtering technology, reactive sputtering technology and pulsed DC sputtering technology. Among them, magnetron sputtering technology is an improved form of vacuum sputtering. Magnetron sputtering technology uses a magnetic field to constrain the movement path of electrons, increases the plasma density and bombardment efficiency, and thus improves the deposition rate and film quality. Therefore, magnetron sputtering technology can be carried out at a relatively low temperature, avoiding the formation of a crystalline structure, and helping to obtain a uniform, dense and compositionally controllable amorphous film. The embodiments provided in this specification are prepared by magnetron sputtering technology. Those skilled in the art should understand that amorphous materials prepared by other vacuum sputtering techniques are also within the scope of protection of this specification.

[0086] This solution can use vacuum sputtering technology to uniformly deposit the atoms in the target matrix and the atoms of the catalyst metal on the Si substrate in a preset ratio to obtain the amorphous material. Specifically, first, prepare the target matrix target material and the catalyst metal target material. Then, place the target matrix target material, the catalyst metal target material and the Si substrate in a vacuum container. Finally, use magnetron sputtering technology to uniformly deposit the atoms of the target matrix target material and the catalyst metal target material on the Si substrate to obtain the amorphous material. The preset ratio is controlled by the area of ​​the target matrix target material and the catalyst metal target material.

[0087] For example, the target substrate target is AlCrMoTiSi target. The catalyst metal target is Pt target. The amorphous material is (AlCrMoTiSi) 0.95 Pt 0.05 The preparation steps are as follows: First, prepare two targets, AlCrMoTiSi target and Pt target. Then, place the AlCrMoTiSi target, Pt target and Si substrate in a vacuum container. In order to obtain amorphous material (AlCrMoTiSi) 0.95 Pt 0.05The ratio of the AlCrMoTiSi target and the Pt target can be set to 95:5. Then, argon gas is filled in the vacuum environment. Appropriate power is applied to co-sputter the AlCrMoTiSi target and the Pt target, so that the Al, Cr, Mo, Ti, Si, and Pt atoms in the AlCrMoTiSi target and the Pt target are uniformly deposited on the Si substrate in a preset ratio to form (AlCrMoTiSi) 0.95 Pt 0.05 Material.

[0088] In a second aspect, the present application provides an amorphous material. The amorphous material can be used as a catalyst to increase the rate of chemical reactions. The amorphous material is amorphous and has the characteristics of high surface free energy and high entropy. The amorphous properties of the amorphous material are derived from its disordered atomic arrangement, which greatly enhances the adsorption and activation efficiency of reactant molecules. Due to these unique properties, the amorphous material can achieve efficient chemical conversion, significantly improve the catalytic reaction rate, and solve the problem of low catalytic efficiency in the prior art.

[0089] The amorphous material includes a target matrix and a catalyst metal. Among them, the target matrix and the catalyst metal work synergistically, so that the amorphous material can achieve efficient catalytic conversion while overcoming the common thermal stability and agglomeration problems of traditional catalysts. Specifically, the target matrix has multiple active sites. These sites are evenly distributed throughout the target matrix, providing anchoring points for the catalyst metal. The catalyst metal is evenly dispersed in the target matrix by forming coordination bonds with the multiple active sites, thereby maximizing the exposure of active centers and enhancing the adsorption and activation efficiency of reactant molecules. Among them, the target matrix can be a variety of amorphous alloys. Furthermore, the target matrix includes an AlCrMoTiSi matrix. The catalyst metal includes multiple catalyst metal single atoms. The following content is explained with the target matrix being an AlCrMoTiSi matrix and the catalyst metal being multiple catalyst metal single atoms.

[0090] The amorphous material includes an AlCrMoTiSi matrix and multiple catalyst metal atoms. The AlCrMoTiSi matrix is ​​amorphous. The amorphous structure provides the AlCrMoTiSi matrix with multiple active sites. These sites are evenly distributed throughout the AlCrMoTiSi matrix, providing ideal anchoring points for the multiple catalyst metal atoms. The multiple catalyst metal atoms form coordination bonds with the multiple active sites, thus evenly dispersing them in the AlCrMoTiSi matrix and preventing clustering between the multiple catalyst metal atoms.

[0091] The AlCrMoTiSi matrix includes a base Si on which Al, Cr, Mo, Ti, and a deposited Si material are deposited, each uniformly mixed at the atomic level. The molar ratio of the Al, Cr, Mo, Ti, and Si is 1:1:1:1:1.

[0092] The catalyst metal includes at least one of Pt, Pd, or Ir. Specifically, in some embodiments, the catalyst metal may be Pt. In some embodiments, the catalyst metal may be Pd. In some embodiments, the catalyst metal may be Ir. In some embodiments, the catalyst metal may be any combination of Pt, Pd, or Ir.

[0093] Accordingly, when the catalyst metal is Pt, the plurality of catalyst metal atoms includes a plurality of Pt single atoms. When the catalyst metal is Pd, the plurality of catalyst metal atoms includes a plurality of Pd single atoms. When the catalyst metal is Ir, the plurality of catalyst metal atoms includes a plurality of Ir single atoms. When the catalyst metal is any combination of Pt, Pd, or Ir, the plurality of catalyst metal atoms includes any combination of Pt, Pd, or Ir single atoms.

[0094] When the plurality of catalyst metal atoms includes a plurality of Pt single atoms, the molar ratio of the AlCrMoTiSi matrix to the plurality of Pt single atoms ranges from 9:1 to 99:1. For example, the molar ratio of the AlCrMoTiSi matrix to the plurality of Pt single atoms is 9:1, 91:9, 92:8, 93:7, 94:6, 95:5, 96:4, 97:3, 98:2, or 99:1. The molar ratio of the AlCrMoTiSi matrix to the amorphous material is between 90% and 99%. For example, the molar ratio of the AlCrMoTiSi matrix to the amorphous material is 90%, 91%, 92%, 93%, 94%, 95%, 96%, 97%, 98%, or 99%. The molar ratio of the plurality of Pt single atoms to the amorphous material is between 1% and 10%. For example, the molar ratio of the plurality of Pt atoms to the amorphous material is 1%, 2%, 3%, 4%, 5%, 6%, 7%, 8%, 9% or 10%.

[0095] When the plurality of catalyst metal atoms includes a plurality of Pd single atoms, the molar ratio of the AlCrMoTiSi matrix to the plurality of Pd single atoms ranges from 9:1 to 99:1. For example, the molar ratio of the AlCrMoTiSi matrix to the plurality of Pd single atoms is 9:1, 91:9, 92:8, 93:7, 94:6, 95:5, 96:4, 97:3, 98:2, or 99:1. The molar ratio of the AlCrMoTiSi matrix to the amorphous material is between 90% and 99%. For example, the molar ratio of the AlCrMoTiSi matrix to the amorphous material is 90%, 91%, 92%, 93%, 94%, 95%, 96%, 97%, 98%, or 99%. The molar ratio of the plurality of Pd single atoms to the amorphous material is between 1% and 10%. For example, the molar ratio of the plurality of Pd atoms to the amorphous material is 1%, 2%, 3%, 4%, 5%, 6%, 7%, 8%, 9% or 10%.

[0096] When the plurality of catalyst metal atoms include a plurality of Ir single atoms, the molar ratio of the AlCrMoTiSi matrix to the plurality of Ir single atoms ranges from 9:1 to 99:1. For example, the molar ratio of the AlCrMoTiSi matrix to the plurality of Ir single atoms is 9:1, 91:9, 92:8, 93:7, 94:6, 95:5, 96:4, 97:3, 98:2, or 99:1. The molar ratio of the AlCrMoTiSi matrix to the amorphous material is between 90% and 99%. For example, the molar ratio of the AlCrMoTiSi matrix to the amorphous material is 90%, 91%, 92%, 93%, 94%, 95%, 96%, 97%, 98%, or 99%. The molar ratio of the plurality of Ir single atoms to the amorphous material is between 1% and 10%. For example, the molar ratio of the plurality of Ir atoms to the amorphous material is 1%, 2%, 3%, 4%, 5%, 6%, 7%, 8%, 9% or 10%.

[0097] In summary, this specification provides an amorphous material and a method for preparing the same. The amorphous material comprises an AlCrMoTiSi matrix and a plurality of catalyst metal atoms. The AlCrMoTiSi matrix is ​​amorphous and has a plurality of active sites. The plurality of catalyst metal atoms can form coordination bonds with the plurality of active sites. The combination of the AlCrMoTiSi matrix and the plurality of catalyst metal atoms allows the amorphous material to have a high catalytic activity while avoiding agglomeration, thereby significantly improving the catalytic efficiency of the amorphous material.

[0098] The following are specific embodiments involved in the above contents of the present disclosure. It should be clear that the following embodiments are only for illustrating the amorphous materials and preparation methods disclosed above, and the specific implementation methods used therein are only in line with one or several methods of the preparation methods and amorphous materials described above. Those skilled in the art can use the above methods to screen other amorphous materials based on the contents introduced in this specification without deviating from the core spirit disclosed in the application. For example, the following embodiments use AlCrMoTiSi matrix and Pt single atoms as experimental materials. It is fully understood by those skilled in the art that the above-mentioned amorphous materials and preparation methods can also be applied to other materials, as long as they comply with the core spirit disclosed in this specification. It is only due to space limitations that the present disclosure does not provide a detailed description of the embodiments of other materials.

[0099] Example 1

[0100] The critical cooling rate model of amorphization was used to predict R c The AlCrMoTiSi system components with relatively low values. After predicting the critical cooling rate R of amorphous materials c The values ​​are as follows:

[0101] When the amorphous material is AlCrMoTiSi, R c The predicted value is 3834.32K / s;

[0102] When the amorphous material is (AlCrMoTiSi) 0.99 Pt 0.01 When R c The predicted value is 692.75K / s;

[0103] When the amorphous material is (AlCrMoTiSi) 0.97 Pt 0.03 When R c The predicted value is 249.68K / s;

[0104] When the amorphous material is (AlCrMoTiSi) 0.95 Pt 0.05 When R c The predicted value is 347.41K / s.

[0105] The results show that the introduction of catalyst metal Pt makes the critical cooling rate R c These data indicate that the amorphized material including the catalyst metal Pt is more likely to form an amorphous alloy.

[0106] Example 2

[0107] Preparation process of AlCrMoTiSi film:

[0108] When preparing AlCrMoTiSi thin films, the commercial Si substrate is first ultrasonically cleaned in acetone, anhydrous ethanol and deionized water for 5-10 minutes in sequence to remove surface contaminants. It is then quickly blown dry with a nitrogen gun and fixed to the sample tray with high-temperature resistant polyimide tape. Using magnetron sputtering technology, the air pressure in the chamber is set to 0.2-0.8 Pa, the distance between the Si substrate and the AlCrMoTiSi alloy target is 15 cm, and the tray is rotated at 20 rpm to ensure film uniformity. After pre-sputtering for 3-5 minutes, the coating begins. The entire deposition process lasts 15 minutes, during which the sputtering power is maintained at 150 W (current 475 mA, voltage 318 V), and the Ar gas flow rate is controlled at 40-60 sccm to obtain high-quality films.

[0109] Example 3

[0110] (AlCrMoTiSi) 0.95 Pt 0.05 and (AlCrMoTiSi) 0.99 Pt 0.01 Preparation process:

[0111] In the preparation of (AlCrMoTiSi) 0.95 Pt 0.05 and (AlCrMoTiSi) 0.99 Pt 0.01 During the film deposition process, a co-sputtering method is used. First, the Pt ingot is pressed into Pt flakes of different sizes and embedded in the gaps of the AlCrMoTiSi target for co-sputtering. The composition ratio of the final material is adjusted by precisely controlling the area ratio of the Pt flakes to the AlCrMoTiSi target and adjusting related parameters. In addition to specific adjustments, the remaining experimental conditions such as the chamber pressure, the distance between the substrate and the target, the tray rotation speed, the pre-sputtering time, the coating time, the sputtering power, the current and voltage parameters, and the Ar gas flow rate are all based on the preparation standards of AlCrMoTiSi thin films. This preparation method ensures the accuracy and uniformity of the film composition.

[0112] The raw materials and equipment used in the experiment are listed in Table 1.

[0113] Table 1. Summary of experimental reagents and materials

[0114]

[0115] Example 4

[0116] Figure 8 : The grazing incidence X-ray diffraction (GIXRD) pattern of the AlCrMoTiSi system provided in accordance with the embodiment of this specification is shown. Figure 8 The figure at the bottom is the GIXRD diagram of the AlCrMoTiSi component. Figure 8 The upper picture is (AlCrMoTiSi) 0.95 Pt 0.05 GIXRD patterns of the components.

[0117] After successfully preparing AlCrMoTiSi thin films using artificial intelligence prediction and magnetron sputtering technology, we used GIXRD to characterize the microstructure of the prepared AlCrMoTiSi system to avoid interference from substrate signals. Figure 8 As shown, the green and red curves represent AlCrMoTiSi and (AlCrMoTiSi) 0.95 Pt 0.05 XRD patterns of the films. As can be seen from the figure, at about 42°, both samples show only a broad diffraction peak, without any sharp diffraction peak corresponding to the crystalline material. This indicates that both AlCrMoTiSi and (AlCrMoTiSi) doped with a small amount of Pt 0.95 Pt 0.05 The films all exhibited an amorphous alloy structure. This amorphous state not only effectively avoids elemental phase separation but also achieves a uniform distribution of components. These XRD results further validate the advantages of artificial intelligence in predicting material composition and structure, demonstrating its potential in the development of novel materials.

[0118] Example 5

[0119] Film morphology and structure analysis:

[0120] Figure 9 The (AlCrMoTiSi) provided in accordance with the embodiment of this specification is shown. 0.95 Pt 0.05 Morphological characterization of the film.

[0121] in, Figure 9 a is (AlCrMoTiSi) 0.95 Pt 0.05 Scanning electron microscopy (SEM) images of thin films; Figure 9 b is a high-resolution transmission electron microscopy (HRTEM) image; Figure 9 c is the energy spectrum element distribution diagram of elements such as Al, Cr, Mo, Ti, Si, and Pt.

[0122] like Figure 9 As shown in a, the film surface morphology is complete and the particles are evenly distributed. Figure 9 As shown in b, the HRTEM image further confirms the amorphous structure of the film, and the HRTEM image is consistent with the GIXRD analysis results. Figure 9As shown in b, the HRTEM image fails to clearly show the specific distribution of Pt atoms, so it is necessary to use higher resolution characterization techniques such as spherical aberration corrected electron microscopy for in-depth analysis. Figure 9 As shown in c, (AlCrMoTiSi) 0.95 Pt 0.05 The energy spectrum elemental distribution of the film clearly shows the uniform distribution of Pt, along with other elements such as Al, Cr, Mo, Ti, and Si. These results demonstrate the excellent compositional uniformity of the film produced by magnetron sputtering. This series of characterization methods validates the consistency between the material design and actual production, and provides guidance for further optimization.

[0123] Example 6

[0124] Table 2 lists the atomic ratios of the various elements in the film. Due to the silicon substrate, the film has a relatively high content. The ratios of Al, Cr, Mo, Ti, and Si are close to 1:1:1:1:1, which is consistent with the AI ​​prediction results. The Pt content is approximately 5%. Combining the GIXRD and energy spectrum elemental distribution results confirms that AI-predicted composition, combined with magnetron sputtering technology, has successfully produced amorphous alloy films with uniform compositional distribution.

[0125] Table 2. Proportion of each element in AlCrMoTiSi system samples (molar ratio)

[0126]

[0127]

[0128] Example 7

[0129] Figure 10 shows a polarization curve diagram of an AlCrMoTiSi series thin film provided according to an embodiment of this specification; Figure 11 shows a comparison diagram of overpotentials of AlCrMoTiSi series thin films provided according to the embodiments of this specification; Figure 12 A comparison diagram of the Tafel slopes of AlCrMoTiSi series thin films provided according to the embodiments of this specification is shown.

[0130] The electrochemical hydrogen evolution reaction (HER) performance of AlCrMoTiSi series films in 0.5M H2SO4 medium was tested. Figure 10 As shown, the green, purple and yellow curves represent AlCrMoTiSi, (AlCrMoTiSi) 0.99 Pt 0.01 and (AlCrMoTiSi) 0.95 Pt 0.05The results show that the pure Si substrate itself has no obvious catalytic activity, but after depositing the AlCrMoTiSi film, the sample shows a slight catalytic performance. Furthermore, when 1% Pt is added to prepare the (AlCrMoTiSi) 0.99 Pt 0.01 When the film is prepared with 5% Pt, its HER performance is improved. When the (AlCrMoTiSi)0.95Pt0.05 film is prepared, its HER performance is significantly enhanced. This shows that by adjusting the Pt content, the electrocatalytic activity of AlCrMoTiSi films can be effectively improved, providing new ideas for the development of efficient HER catalysts.

[0131] In order to further explore the effect of Pt content on electrocatalytic performance, the Pt doping ratio was increased 100 times in the experiment to prepare (AlCrMoTiSi) 0.99 Pt 0.01×100 This means that while keeping the AlCrMoTiSi alloy ratio unchanged, the Pt doping amount is increased from the original 0.01 to 1 (that is, the atomic percentage of Pt is increased from 1% to 100%). 0.99 Pt 0.01×100 The results showed that the η 30 The overpotential performance is significantly improved. Specifically, Figure 11 As shown, in η 50 Under the same conditions, the overpotential of pure Pt film is 458.9mV, while (AlCrMoTiSi) 0.99 Pt 0.01×100 The overpotential of the film decreased to 312.8 mV. This indicates that increasing the Pt content not only significantly improves the electrocatalytic activity of the AlCrMoTiSi film, but also outperforms that of a pure Pt film. This demonstrates the potential of this composite material in the development of highly efficient hydrogen evolution reaction catalysts.

[0132] like Figure 12 As shown, in terms of dynamic performance evaluation, (AlCrMoTiSi) 0.99 Pt 0.01×100 The film shows a large Tafel slope of 176.31mV / dec. This indicates that (AlCrMoTiSi) 0.99 Pt 0.01×100 The reaction rate of (AlCrMoTiSi) is relatively slow. 0.95 Pt 0.05 The Tafel slope of the film is close to that of the pure Pt film, which are 52.88mV / dec and 45.49mV / dec respectively. This shows that (AlCrMoTiSi)0.95 Pt 0.05 The thin film can achieve more efficient hydrogen evolution reaction at lower overpotential.

[0133] The improved kinetic performance is primarily attributed to two key factors: first, the effective utilization of high-performance Pt, and second, the coordination effect between Pt and the substrate. This effect not only enhances the catalytic activity of the amorphous material but also improves its stability. These findings reveal that the electrocatalytic performance of amorphous materials can be optimized by precisely controlling the catalytic metal content, providing a new strategy for developing efficient and stable catalysts.

[0134] The foregoing description of this specification describes specific embodiments. Other embodiments are within the scope of the appended claims. In some cases, the actions or steps recited in the claims can be performed in an order different from that described in the embodiments and still achieve the desired results. Furthermore, the processes depicted in the accompanying drawings do not necessarily require the particular order or sequential order shown to achieve the desired results. In certain embodiments, multitasking and parallel processing are also possible or may be advantageous.

[0135] In summary, after reading this detailed disclosure, those skilled in the art will appreciate that the foregoing detailed disclosure may be presented by way of example only and may not be limiting. Although not expressly stated herein, those skilled in the art will understand that this specification encompasses various reasonable changes, improvements, and modifications to the embodiments. Such changes, improvements, and modifications are intended to be suggested by this specification and are within the spirit and scope of the exemplary embodiments of this specification.

[0136] Furthermore, certain terms in this specification have been used to describe embodiments of this specification. For example, “one embodiment,” “an embodiment,” and / or “some embodiments” mean that a particular feature, structure, or characteristic described in connection with that embodiment may be included in at least one embodiment of this specification. Therefore, it is emphasized and should be understood that two or more references to “an embodiment,” “one embodiment,” or “an alternative embodiment” in various parts of this specification do not necessarily refer to the same embodiment. Furthermore, particular features, structures, or characteristics may be appropriately combined in one or more embodiments of this specification.

[0137] It should be understood that in the foregoing descriptions of the embodiments of this specification, to facilitate understanding of a feature and to simplify this specification, various features are combined in a single embodiment, figure, or description thereof. However, this does not necessarily mean that these features are combined. When reading this specification, those skilled in the art may extract some of the features and understand them as separate embodiments. In other words, the embodiments of this specification can also be understood as the integration of multiple sub-embodiments. This also applies when each sub-embodiment contains fewer than all the features of a single previously disclosed embodiment.

[0138] Each patent, patent application, publication of a patent application, and other materials, such as articles, books, specifications, publications, documents, and the like, cited in this disclosure (excluding any historical review documents related thereto) is hereby incorporated by reference for all purposes relevant to this disclosure, such as within the specification and claims of this disclosure. However, if there is any inconsistency or conflict between the descriptions, definitions, and / or terminology of such materials and the descriptions, definitions, and / or terminology used in this disclosure, the descriptions, definitions, and / or terminology used in this disclosure shall control.

[0139] Finally, it should be understood that the embodiments of the application disclosed herein are illustrative of the principles of the embodiments of this specification. Other modified embodiments are also within the scope of this specification. Therefore, the embodiments disclosed in this specification are merely examples and not limitations. Those skilled in the art can adopt alternative configurations based on the embodiments in this specification to implement the application in this specification. Therefore, the embodiments of this specification are not limited to the embodiments precisely described in the application.

Claims

1. An amorphous material, characterized in that include: AlCrMoTiSi matrix, amorphous; as well as A plurality of catalyst metal single atoms are uniformly dispersed in the AlCrMoTiSi matrix.

2. The amorphous material according to claim 1, characterized in that The AlCrMoTiSi matrix has multiple active sites; and The plurality of catalyst metal atoms form coordination bonds with the plurality of active sites.

3. The amorphous material according to claim 1, characterized in that The AlCrMoTiSi matrix comprises: a base Si, on which Al, Cr, Mo, Ti and deposited Si materials uniformly mixed at the atomic level are deposited; The molar ratio of the Al, the Cr, the Mo, the Ti, and the Si is 1:1:1:1:

1.

4. The amorphous material according to any one of claims 1-2, characterized in that The plurality of catalyst metal single atoms include a plurality of Pt single atoms.

5. The amorphous material according to claim 4, characterized in that The molar ratio of the AlCrMoTiSi matrix to the multiple Pt single atoms ranges from 9:1 to 99:1, wherein the molar ratio of the AlCrMoTiSi matrix to the amorphous material is between 90%-99%, and the molar ratio of the multiple Pt single atoms to the amorphous material is between 1%-10%.

6. The amorphous material according to any one of claims 1-2, characterized in that: The plurality of catalyst metal single atoms include a plurality of Pd single atoms.

7. The amorphous material according to claim 6, characterized in that The molar ratio of the AlCrMoTiSi matrix to the multiple Pd single atoms ranges from 9:1 to 99:1, wherein the molar ratio of the AlCrMoTiSi matrix to the amorphous material is between 90%-99%, and the molar ratio of the multiple Pd single atoms to the amorphous material is between 1%-10%.

8. The amorphous material according to any one of claims 1-2, characterized in that: The plurality of catalyst metal single atoms include a plurality of Ir single atoms.

9. The amorphous material according to claim 8, characterized in that The molar ratio of the AlCrMoTiSi matrix to the multiple Ir atoms ranges from 9:1 to 99:1, wherein the molar ratio of the AlCrMoTiSi matrix to the amorphous material is between 90% and 99%, and the molar ratio of the multiple Ir atoms to the amorphous material is between 1% and 10%.

10. A method for preparing an amorphous material, wherein the amorphous material comprises a target substrate and a catalyst metal, characterized in that: include: Determining target matrix data from a plurality of high entropy alloys using an amorphization critical cooling rate model, wherein the target matrix includes an AlCrMoTiSi matrix; Determining a ratio range data of a target substrate to the catalyst metal from a plurality of ratios of the target substrate to the catalyst metal using an amorphization critical cooling rate model; The amorphous material according to any one of claims 1 to 9 is manufactured based on the target substrate data and the ratio range data.

11. The method according to claim 10, characterized in that The method of determining target matrix data from a plurality of high entropy alloys using an amorphization critical cooling rate model, wherein the target matrix includes an AlCrMoTiSi matrix, comprises: Determining a plurality of first critical cooling rates corresponding to the plurality of high entropy alloys one by one using the amorphization critical cooling rate model, wherein the plurality of high entropy alloys include an AlCrMoTiSi matrix; Based on the preset first target standard and the plurality of first critical cooling rates, data of the target substrate is determined.

12. The method according to claim 11, characterized in that The first target standard at least includes: a critical cooling rate for amorphization of the target substrate is less than a preset first critical cooling rate.

13. The method according to claim 10, characterized in that The method of determining the ratio range data of the target substrate to the catalyst metal from the ratios of multiple target substrates to the catalyst metal using a crystallization critical cooling rate model includes: Determining a plurality of second critical cooling rates corresponding to a plurality of high entropy alloys using the amorphization critical cooling rate model, wherein the target substrates of the plurality of high entropy alloys have different ratios to the catalyst metal; Based on a preset second target standard and the plurality of second critical cooling rates, data on a target ratio range of the substrate to the catalyst metal is determined.

14. The method according to claim 13, characterized in that The second target standard includes at least: The amorphization critical cooling rate of the amorphous material is less than a preset second critical cooling rate.

15. The method according to claim 10, characterized in that The manufacturing based on the data of the target substrate and the proportional range data includes: The atoms in the target matrix and the atoms of the catalyst metal are uniformly deposited on the Si substrate in a preset ratio by vacuum sputtering technology to obtain the amorphous material.

16. The method according to claim 15, characterized in that The method of uniformly depositing the atoms in the target matrix and the catalyst metal atoms on the Si substrate in a preset ratio by vacuum sputtering technology to obtain the amorphous material comprises: preparing a target substrate target material and a catalyst metal target material; Placing the target matrix target material, the catalyst metal target material and the Si substrate in a vacuum container; The target matrix target material and the catalyst metal target material are uniformly deposited on a Si substrate by magnetron sputtering technology, thereby obtaining the amorphous material.

17. The method according to claim 16, characterized in that The preset ratio is controlled by the areas of the target substrate target and the catalyst metal target.

18. The method according to claim 10, characterized in that The catalyst metal includes at least one of Pt, Pd, or Ir.

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