85 results about "Material chemistry" patented technology

The invention relates to the field of online analysis of chemical components of materials, and discloses an online monitoring process for components of a lead frame electroplating solution, which comprises the following steps: conventionally monitoring the spectrum of the electroplating solution to calculate the concentration; calculating a spectral entropy index based on the deviation degree of the real-time spectrum and a pre-established statistical baseline model, and comparing the spectral entropy index with a preset failure trigger threshold; a dynamic calibration step is started only when the spectral entropy index exceeds the preset failure trigger threshold, the dynamic calibration step compares a physical true difference spectrum with a model virtual difference spectrum by injecting a standard pulse to generate a model error vector, and the model error vector is utilized to correct the chemometrics model, so that the stoichiometry accuracy is improved. According to the method, on-demand calibration is realized, and the consumption of the standard substance is reduced while the real-time accuracy of the model is guaranteed.

The invention provides an artificial intelligence grading classification-regression combination prediction method for multi-class materials, and belongs to the technical field of material informatics and artificial intelligence. According to the method, a historical sample data set of material chemical composition and crystal structure information is obtained, a band gap value is divided into a plurality of intervals based on an equal width principle, and interval labels are generated. Key features are extracted, an SVM classification model is trained to predict a band gap interval, and then a multi-layer neural network regression model is utilized to predict a band gap value. If the highest confidence coefficient is higher than the threshold value, directly calling the multi-layer neural network regression model of the corresponding interval; and if the value is lower than the threshold value, multi-interval parallel regression and weighted fusion prediction are carried out. According to the artificial intelligence grading classification-regression combination prediction method for the multi-class materials, the precision and robustness of band gap prediction can be effectively improved, particularly, the performance is prominent when high and low band gap samples are distributed imbalanced, and a precise and reliable solution is provided for material band gap prediction.

The invention relates to the field of material chemistry on-line detection, in particular to a 1, 2, 4-trichlorobenzene on-line detection material and a preparation method thereof, and provides a film-forming sensitive layer material capable of being coated on the surface of a transducer, and the film-forming sensitive layer material comprises chitosan, a crosslinking component with the content of 0.1-5wt% in terms of glutaraldehyde and magnetic core-shell molecularly imprinted particles after being dried, the magnetic core-shell molecularly imprinted particle contains a ferroferric oxide magnetic inner core, a silicon dioxide middle layer and a molecularly imprinted polymer shell layer, and the shell layer is a cyclodextrin methacrylate and ethylene glycol dimethacrylate copolymer network and takes 1, 2, 4-trichlorobenzene as a template. The material keeps the membrane integrity and long-term stability under the working conditions of circulation and regeneration and also gives consideration to quick response, and the residual 1, 2, 4-trichlorobenzene is controlled to be not greater than 0.10 wt% and the residual glutaraldehyde is controlled to be not greater than 0.5 wt%. The method is used for relieving structural mass transfer contradiction and processing and coating coupling contradiction caused by high filler load, and has online detection application value.

The invention belongs to the technical field of material chemistry, and particularly relates to a method for synthesizing an amide hydrogen bond organic framework material based on a one-pot method and gold recovery application. The preparation method comprises the following steps: dissolving a dihydroxybenzidine monomer in a formic acid monomer under 15-minute ultrasonic treatment, then adding ethylene glycol, and then carrying out ultrasonic treatment on the mixture for 5 minutes; then placing the sample bottle in a drying oven at 30 DEG C for constant-temperature evaporation so as to separate out brown blocky crystals; and filtering and collecting crystals, washing with water for multiple times, and carrying out vacuum drying at 60 DEG C to obtain the final material HOF-D. The HOF-D synthesized by the method disclosed by the invention can be used for rapidly recovering Au (III) from an aqueous solution with high selectivity, cycling stability and large capacity (5186 + / -10 mg. G <-1 >), so that the efficient adsorption and recovery of Au (III) in electronic waste liquid are realized, and the HOF-D has a good application prospect.

The invention relates to the technical field of computer-aided material design, in particular to a material chemical formula generation method based on performance sensitivity self-adaptive stratified sampling, which comprises the following steps: inputting an element list; querying a performance sensitivity knowledge base to obtain a sensitivity level and an adjustment factor; analyzing the composite elements, extracting multi-dimensional element features, and quantitatively calculating element combination complexity; based on the element number, the sensitivity and the complexity, a corresponding sampling strategy is adaptively selected, and the sampling amount is dynamically allocated; generating a chemical formula and de-weighting; and outputting a chemical formula list and full-process metadata. Through innovation of resource allocation driven by performance sensitivity, composite element atomic-scale analysis, feature space clustering and the like, on the premise that sampling representativeness and chemical rationality are guaranteed, the calculation efficiency is improved by dozens of times to hundreds of times, the response time is reduced to the second level or the minute level, and the method has the advantages of being traceable, extensible and high in universality and has wide application prospects. And the material screening and discovery process is effectively accelerated.

The invention relates to the technical field of component detection, in particular to a material chemical component detection method and system based on the spectrum technology, and the method comprises the steps: obtaining a preset number of initial spectrum images of a to-be-detected material through a detector, screening out a matched standard scattering peak corresponding to each target scattering peak from scattering peaks of all standard components obtained in advance; determining a drift possible factor corresponding to each target scattering peak; determining a spectrum overlapping cause characterization coefficient; determining an equipment environment influence factor and a target compensation coefficient corresponding to each initial spectral image; and correcting the initial spectral image according to the target compensation coefficient, and detecting the chemical components of the material based on the corrected initial spectral image. According to the method, the correction of the initial spectral image is realized by analyzing the spectral overlapping condition of the initial spectral image, and the spectral overlapping degree in the spectral image is corrected to a certain extent, so that the detection accuracy of the chemical components of the material is improved.

The invention discloses cerium oxide / piezoelectric material composite nano-enzyme for an antifouling coating as well as a preparation method and application of the cerium oxide / piezoelectric material composite nano-enzyme, and belongs to the technical field of material chemistry and marine protection. The preparation method of the composite nano-enzyme comprises the following steps: dispersing a metal cerium source and a piezoelectric material source in a solvent according to a mass ratio of 1: (1-5), carrying out phase formation and composite treatment, and collecting a solid product after treatment, thereby obtaining the composite nano-enzyme. The composite nano-enzyme can be used for marine antifouling paint to form a functional material system capable of realizing self-driven antifouling by directly utilizing mechanical energy such as ocean waves, vibration and the like. According to the system, mechanical energy is converted into electrochemical energy to drive in-situ generation of H2O2, and Ce < 3 + > / Ce < 4 + > redox cycle is utilized to efficiently convert H2O2 into ROS, so that sustainable antibacterial and anti-biological adhesion effects are achieved, toxic substances are not released, and the system belongs to an environment-friendly protection technology.

This invention discloses a method for directional experimental verification and performance testing guided by computational simulation in materials chemistry, belonging to the field of materials performance testing technology. The method includes: acquiring the structural parameters of semiconductor devices and initial parameters of interface defects; calculating the characteristic time constant of carrier trapping by interface traps; simulating and generating a theoretical capacitance-voltage hysteresis loop; then performing bidirectional voltage scan tests within a sensitive scan rate range; finally, updating the inversion parameters and resimulating, iteratively adjusting until the characteristic deviation between the theoretical loop and the measured data meets the convergence condition, thus outputting an interface state density distribution map. This invention, through computational simulation-guided directional experiments, achieves accurate capture and non-destructive in-situ characterization of the dynamic response characteristics of interface states, effectively establishing the dynamic structure-property relationship between microscopic interface defects and macroscopic device performance, and significantly improving the accuracy and reliability of interface defect parameter inversion.

The invention provides a fluidized bed carbonyl method powder surface modification production device and a use method thereof, belongs to the technical field of powder metallurgy and atomic vapor deposition, and solves the problem of lack of a stable and efficient fluidized bed carbonyl method powder surface modification production device in the prior art. An electromagnetic heater is arranged on the fluidized bed reactor, a fluidized bed hood is arranged at the bottom of the fluidized bed reactor, the fluidized bed reactor is sequentially connected with a cyclone separator and a dust collector, the dust collector is connected with the fluidized bed reactor, the cyclone separator and the dust collector are respectively connected with a passivation bin, and the passivation bin is connected with multistage linear screening equipment. According to the method, a chemical fluidized bed technology and a material chemical vapor deposition preparation technology are combined, the characteristics of high purity, low thermal dissociation temperature and the like of a carbonyl metal intermediate compound are utilized, carbonyl nickel liquid is used as a raw material, and atomic vapor deposition coating of high-purity nickel metal atoms is carried out.

The present application relates to the field of on-line analysis of material chemical composition, and discloses an on-line monitoring process for the composition of a lead frame electroplating solution, comprising: calculating the concentration of the electroplating solution by conventional monitoring of the spectrum; calculating a spectrum entropy index based on the degree of deviation of the real-time spectrum from a pre-established statistical baseline model, and comparing the spectrum entropy index with a pre-set failure trigger threshold; starting a dynamic calibration step only when the spectrum entropy index exceeds the pre-set failure trigger threshold, the dynamic calibration step generating a model error vector by comparing the physically real differential spectrum with the model virtual differential spectrum through injection of a standard pulse, and correcting the chemometrics model using the model error vector, so that the present application realizes on-demand calibration, ensures real-time accuracy of the model, and reduces the consumption of the standard.

The invention relates to a bio-based silane coupling agent as well as a preparation method and application thereof, and belongs to the technical field of organic material chemistry. The bio-based silane coupling agent is prepared from the following raw material components: a cardanol derivative, a mercapto silane coupling agent and a photoinitiator, and the molar ratio of carbon-carbon double bonds in the cardanol derivative to mercapto in the mercapto silane coupling agent to the photoinitiator is 1: (0.4-1): (0.01-0.05). The novel cardanol-based silane coupling agent is successfully prepared through a photo-initiation click chemistry technology. The coupling agent can significantly improve the initial bonding strength and high-temperature and high-humidity aging resistance of the adhesive, and has the advantages of environmental protection and wide application.

The invention discloses an electrically-assisted forming pure electroplastic effect measuring device and method based on contact type cooling. The device comprises a loading unit, an electrifying unit, a contact type cooling unit, a measuring unit and a control unit. The method is characterized in that a friction force calibration experiment is carried out, and system errors are quantified; then, under closed-loop temperature control, electrifying, deformation and dynamic cooling are synchronously carried out, so that the temperature of the sample is stabilized at the target temperature to completely offset the Joule heating effect; and finally, the measurement result is corrected based on the calibration data, the corrected electrified deformation data is compared with the thermal baseline data, and the difference value is the accurate quantized value of the pure electroplastic effect. According to the device and the method, the high-thermal-conductivity insulating ceramic chip is adopted for contact type cooling, the problem of material chemical pollution caused by liquid nitrogen injection is fundamentally avoided, system errors caused by contact are eliminated through an original friction force calibration and correction process, and in-situ, accurate and nondestructive measurement of the pure electroplastic effect of the material is achieved.

This invention discloses a method for preparing pseudoboehmite with high specific surface area and high conversion rate by sand milling and hydrolysis, belonging to the field of materials chemistry. The method involves using high-purity aluminum isopropoxide purified by vacuum distillation as a dispersant, and sand milling and stirring under specific pH, temperature, and vacuum conditions to complete the hydrolysis and aging process. Microwave drying is then employed to obtain a sample with a specific surface area >350 cm². 2 Boehmite powder with an alumina conversion rate of ≥76% per g can be used for the production of laser crystal-grade alumina and gem-grade alumina, and is also suitable for use as a catalyst support; moreover, the preparation method is simple to operate, easy to control, and easy to industrialize.

The application belongs to the field of material chemistry, and particularly relates to a kind of one-side densification large-size biomimetic ceramic Janus film and a preparation method thereof.The Janus film is a two-layer structure composed of a dense layer and a loose layer, the dense layer is aragonite crystal, and the loose layer contains aragonite and calcite crystals.The application induces crystal densification growth by limited effect, does not need the extreme environment of high temperature and high pressure in traditional densification ceramic firing, successfully prepares one-side densification mineral film under mild experimental conditions, saves energy, and provides favorable conditions for subsequent mechanism research and expansion of synthesis method.

The invention relates to the technical field of material chemistry, and provides an aperture regulation and control method and application of a naphthalimide hydrogen bond organic framework. By changing the ratio of N, N-dimethylformamide to water, the hydrogen bond interaction between water and 2, 7-bis (4H-1, 2, 4-triazole-4-yl) benzo [lmn] [3, 8] phenanthroline-1, 3, 6, 8 (2H, 7H)-tetraone is changed, so that the pore size of the naphthalimido hydrogen bond organic framework is regulated and controlled. When the water content is relatively low, the self-hydrogen-bond aggregation characteristic of water is weakened by DMF, the hydrogen bond interaction between water and NDIT is enhanced, and large-aperture NDIT-HOF-1 is obtained; when the water content is increased, the self hydrogen bond aggregation characteristic of water is enhanced, so that the hydrogen bond interaction between water and NDIT is weakened, and small-aperture NDIT-HOF-2 is obtained. An NDIT-HOF pore channel contains an electron-rich nitrogen site from triazole and an electron-rich oxygen site from water, and a nitrogen-oxygen synergistic adsorption site can realize selective adsorption of Th (IV). The water participating in framework assembly also enhances the hydrophilic performance of the NDIT-HOF, accelerates adsorption kinetics, realizes rapid adsorption of Th (IV) in a complex environment, and has a good application prospect.

The application belongs to the field of material chemistry, and relates to an amorphous Zr-MOF material and a preparation method of spherical nano ZrC derived from the amorphous Zr-MOF material. A zirconium metal salt, an organic ligand, a modulator and a solvent are mixed and ultrasonically mixed to obtain a metal-organic mixed solution; the metal-organic mixed solution is subjected to a solvothermal reaction to obtain an amorphous Zr-MOF suspension which is centrifuged, washed and dried to obtain the amorphous Zr-MOF material. The amorphous Zr-MOF material is placed in a graphite crucible and placed in a vacuum carbon tube furnace for high-temperature pyrolysis to obtain the spherical nano ZrC derived from the amorphous Zr-MOF material. The amorphous Zr-MOF material is used as a precursor, the MOF material has the characteristics of easy size and morphology adjustment, the morphology of the Zr-MOF can be adjusted by adjusting the reaction ratio of the Zr-MOF synthesis, and the size and morphology of the ZrC after pyrolysis can be adjusted. The amorphous Zr-MOF material is used as a precursor, the proportion of deionized water in the solvent can be adjusted to easily adjust the purity and size and morphology of the ZrC powder after pyrolysis.

The invention belongs to the technical field of material chemistry, and provides a polymerized lanthanum titanium-based flocculant as well as a preparation method and application thereof. The poly-lanthanum-titanium composite flocculant is prepared by adopting an electrochemical method, and the method has the advantages of simplicity and convenience in operation and controllable process. The composite flocculant shows a remarkable synergistic effect on pollutant removal efficiency, and has particularly outstanding removal rates on organic matters, phosphate and UV254 in a water body; the problem of high cost of a single lanthanum flocculant is reduced, and meanwhile, lanthanum provides strong phosphorus precipitation capacity, so that the problem of insufficient efficiency of titanium salt under a low-phosphorus condition is solved.

The invention belongs to the technical field of material chemistry, and particularly relates to a preparation method and application of a DNA functionalized covalent organic framework material. The preparation method comprises the following steps: uniformly mixing an alkynyl monomer, an aminopyrene monomer and an aldehyde monomer with an organic solvent according to different proportions, adding a catalyst, freezing, degassing and sealing, washing and drying the obtained precipitate after the reaction to obtain COF materials with different alkynyl contents, and then carrying out click chemical covalent coupling under the catalysis of Cu (I), thereby realizing the preparation of the DNA functionalized COF material. The DNA functionalized covalent organic framework material prepared by the invention can realize rapid and sensitive colorimetric detection and efficient adsorption removal of UO2 < 2 + >, and has a good application prospect.

This invention relates to the fields of materials informatics and data quality control, specifically a collaborative verification method for the quality of chemical formula sampling distributions in materials. Addressing the problems in existing methods for verifying the quality of chemical formula sampling distributions in materials—such as one-sided evaluation dimensions, decoupling from intrinsic performance characteristics, insufficient utilization of historical experience, lack of operability and interpretability of verification results, and neglect of multi-model prediction consistency—this invention achieves comprehensive collaborative evaluation of chemical and performance spaces through a multi-dimensional collaborative evaluation and adaptive intelligent verification framework. This includes adaptive matching of verification standards to performance sensitivity, full activation of historical data value, effective output of transparent diagnostics and precise optimization guidance, and quantitative improvement of multi-model prediction consistency. This provides reliable quality assurance for high-throughput material screening and improves R&D efficiency.

The invention relates to the technical field of material informatics and data science, in particular to a material performance sensitivity quantification and grading method based on multi-dimensional statistical analysis, which comprises the following steps: inputting a standardized identifier containing a material chemical formula and at least one column of performance index data; a diversity index and an element complexity index are formed; and calculating a variable coefficient, a quantile range ratio, a skewness absolute value, a kurtosis absolute value and an abnormal value proportion for the performance index data column. According to the method, the problems of dependence on expert experience and high subjectivity are solved through multi-dimensional statistical feature fusion and a quantitative model for forming variability correction; the analysis accuracy is improved through five complementary statistical characteristics; different material systems are adapted by forming variability coefficients, evaluation deviation is eliminated, and universality is enhanced; automatic grading and knowledge base construction significantly improve the material design optimization efficiency, provide precise support for process control and quality assurance, and promote intelligent transformation of material research and development.

The invention belongs to the technical field of material chemistry, and discloses a cobalt-doped ferric oxide material and a preparation method and application thereof.The preparation method comprises the following steps that 1, ferric chloride hexahydrate and cobalt nitrate hexahydrate are dissolved in deionized water, absolute ethyl alcohol and sodium acetate trihydrate are added, and stirring is conducted under the room temperature condition till solute is completely dissolved; 2, the precursor solution prepared in the step 1 is placed in an air atmosphere for magnetic stirring, then solvothermal synthesis is carried out, centrifugation, cleaning and drying are carried out after the reaction is finished, and the cobalt-doped ferric oxide material is obtained and comprises a framework formed by ferric oxide nano cubic crystals and a cobalt element, the cobalt element enters the framework to replace part of the iron element to form chemical bonds with the oxygen element, and the degradation rate of bisphenol A within 20 minutes is as high as 100%.

The invention belongs to the technical field of material chemistry and biology, and particularly relates to a composite membrane as well as a preparation method and application thereof. According to the HOFilms material, a hydrogen bond organic framework film with high quality and uniform distribution is prepared by using a mild and simple preparation method, and the biological function of the material is effectively reserved; the preparation process is simple, raw materials are easy to obtain, and factory-like large-scale production can be realized; the active achilles tendon regeneration system can be used as a physical barrier or a stent, regulates and repairs a microenvironment at a molecular level, and further forms an integrated active achilles tendon regeneration platform from mechanical support to biological treatment; the HOFilms material has the intelligent characteristic of'wet response ': the HOFilms material not only can stably exist in an in-vivo wet environment, but also can execute specific functions by utilizing or responding to moisture (such as swelling, shrinking and releasing factors) in the environment, so that the HOFilms material interacts with a dynamic physiological process; the HOFilms material has an active biological function of improving an inflammatory microenvironment and directly promoting regeneration of tendon cells, so that healing obstacles are overcome fundamentally.

The application relates to an artificial intelligence generation method and system of a ferroelectric material component-temperature phase diagram, and the method comprises the following steps: acquiring a chemical formula of a ferroelectric material with a doping variable, and setting the chemical formula into a string form; setting the change range and step length of the doping proportion and temperature; processing chemical elements and the doping proportion in the chemical formula of the ferroelectric material with the doping variable in the string form to obtain a chemical formula numerical vector list; forming a temperature list according to the set change range and step length of the temperature, and performing normalization processing to obtain a normalized temperature list; based on the chemical formula numerical vector list and the normalized temperature list, performing merging and inputting into a pre-trained crystal phase transition artificial intelligence model to output a crystal structure type; and based on the crystal structure type, a component-temperature phase diagram of the chemical formula of the ferroelectric material with the doping variable under different doping proportions and different temperature conditions is drawn. Compared with the prior art, the application has the advantages of automatically generating a component-temperature phase diagram.

The present invention relates to an artificial intelligence-based method and system for generating a composition-temperature phase diagram of a ferroelectric material. The method comprises: acquiring a variable-doped ferroelectric material chemical formula, and setting same in the form of a character string; setting variation ranges and step sizes for both the doping ratio and the temperature; processing chemical elements and doping ratios in the variable-doped ferroelectric material chemical formula in the form of the character string to obtain a chemical formula numerical vector list; on the basis of the variation range and step size set for the temperature, forming a temperature list, and performing normalization processing to obtain a normalized temperature list; performing merging on the basis of the chemical formula numerical vector list and the normalized temperature list, and inputting data into a pre-trained crystalline phase transition artificial intelligence model to output a crystal structure type; and on the basis of the crystal structure type, drawing composition-temperature phase diagrams of the variable-doped ferroelectric material chemical formula under different doping ratios and different temperature conditions. Compared with the prior art, the present invention has the advantages such as automatically generating component-temperature phase diagrams.

This invention discloses a dual-site heterovalent metal MOF material for NO adsorption, its preparation method, and its application, belonging to the field of gas adsorption materials. The chemical formula of this material is [Cu]. Ⅰ (Cu Ⅱ )4(2-TPY)2(IA ‑ )3(NO3 ‑ )2I ‑ O 2‑ ]·(NO3 ‑ The material was prepared by a solvothermal method using the reaction of bis(terpyridine), isonicotinic acid, and cuprous iodide. This material possesses a three-dimensional structure and Cu... Ⅰ / Cu Ⅱ The bimetallic active sites exhibit excellent thermal stability, high specific surface area, and highly selective adsorption capacity for NO. This invention solves the problems of low NO adsorption capacity and poor selectivity of traditional adsorbents in complex flue gas, and can efficiently achieve NO / CO separation. It is suitable for the deep removal and resource utilization of NO in industrial waste gas, and has good cycle stability and application prospects.

The invention discloses a method for realizing a pure-phase doped cobaltosic oxide rapid reaction based on a cobalt chloride system, and relates to the technical field of inorganic chemistry and material chemistry, and the method comprises the following steps: uniformly distributing low-light mark arrays on the inner wall of a reaction cavity for recording the migration trend of a cobalt ion group in real time, and generating a continuous crystal phase interface drift distribution zone; and according to the spatial form of a crystal phase interface drift distribution zone, a nanotexture cracking development process is executed, lattice slippage traces are developed point by point on an ion migration path, the starting position and the ending position of lattice staggered layers are marked, and a complete staggered layer distribution diagram is constructed. According to the method, accurate regulation and control and defect self-healing of the highly-doped cobaltosic oxide structure are achieved through multi-dimensional linkage means such as low-light tracking, developing positioning, coordination blocking, slow-release repairing, thermal control rearrangement and interface traction, the phase purity, doping uniformity and electrochemical performance are remarkably improved, and the method is superior to a traditional annealing repairing method.

The invention belongs to the field of material chemistry and molecular electronics, and discloses a preparation method of a gold nanorod assembly. Comprising the following steps: providing a dispersion system containing a plurality of gold nanorods in a liquid-phase medium; introducing a heterocyclic ring assembly molecule anchored on the surface of the gold nanorod into the dispersion system, wherein the heterocyclic ring assembly molecule comprises an aromatic heterocyclic ring providing structural rigidity, a sulfur-containing anchoring group forming a coordinate bond with the gold surface, and a group or atom capable of forming a hydrogen bond; the gold nanorod assembly comprises at least two gold nanorods and heterocyclic ring assembly molecules located on the gold nanorods respectively, and the two gold nanorods are connected with each other through hydrogen bond supramolecular interaction formed between complementary functional groups of the heterocyclic ring assembly molecules. The preparation of the gold nanorod assembly with high yield and linear orientation is realized by utilizing the heterocyclic ring assembly molecules.

The present application relates to the field of material informatics and data science technology, in particular to a material performance sensitivity quantification and grading method based on multi-dimensional statistical analysis, comprising the following steps: inputting standardized identification containing material chemical formula and at least one column of performance index data; and composing diversity index and element complexity index; for the performance index data column, calculating coefficient of variation, quantile range ratio, absolute value of skewness, absolute value of kurtosis and proportion of outliers. The present application solves the problem of strong subjectivity and dependence on expert experience by using a multi-dimensional statistical feature fusion and a quantitative model of variation correction composition; improves analysis accuracy by five complementary statistical features; eliminates evaluation bias and enhances universality by adapting different material systems with the composition of the variation coefficient; automatic grading and knowledge base construction significantly improve the efficiency of material design optimization, provide accurate support for process control and quality assurance, and promote the intelligent transformation of material research and development.

The application relates to the fields of machine learning and new material prediction, and relates to a high-thermoelectric figure-of-merit material reverse design method and system based on a deep generative model, which comprises the following steps: obtaining a thermoelectric material dataset, performing temperature division operation on a plurality of target material data to obtain a low-temperature material data, a medium-temperature material data and a high-temperature material data, performing subscript interpolation operation on the low-temperature material data, the medium-temperature material data and the high-temperature material data to obtain Z expansion matrix groups, constructing a generative adversarial network by using a variational autoencoder and a true-false discrimination model, performing adversarial training on the generative adversarial network to obtain a target adversarial network, generating a plurality of target material chemical formulas by using a preset target zt value, a preset target temperature, the target adversarial network and a conditional discrimination model, and completing the reverse design of the high-thermoelectric figure-of-merit material. The application can improve the accuracy of the deep generative model in predicting the high-thermoelectric figure-of-merit material.

The invention discloses an anion shielding type porous organic cage and a preparation method thereof, and belongs to the technical field of porous material chemistry and functional materials. According to the invention, triaminoguanidine salt and tetraformyl resorcinol [4] arene (C4RACHO) are used as reaction monomers, and the porous organic cage material with the anion encapsulation characteristic is synthesized in one step. Single crystal X-ray diffraction analysis, infrared spectroscopy, solid nuclear magnetism and other representations prove that the organic cage is successfully synthesized. A single-crystal structure proves that anions are all packaged in intrinsic holes of a molecular cage, and the anions in the cage cannot escape due to the fact that the window size of the molecular cage is small. Thermogravimetric analysis shows that the material has high thermal stability. Through nitrogen adsorption-desorption test analysis, the organic cage material shows a developed pore structure and a high specific surface area characteristic. The anion-encapsulated porous organic cage is expected to be industrially popularized and applied in the fields of capacitors, energy storage, catalysis, gas adsorption and separation, pollutant treatment and the like.