59 results about "Electronic properties" patented technology

The invention belongs to the field of catalytic electrodes, and particularly discloses a modified nickel-based electrode and a preparation method thereof.The preparation method of the modified nickel-based electrode comprises the steps that 1, a nickel-based electrode is placed in a precursor solution to be soaked and then transferred into an inert atmosphere or a vacuum atmosphere to be roasted, and a primary modified electrode is obtained; and 2, the step 1 is repeated for one or more times, a secondary modified electrode or a multi-stage modified electrode can be prepared, and the precursor solution is any one or more than two of a sodium phosphite solution and a metal salt solution. A nickel-based electrode is treated through sodium phosphite, phosphide with heterojunction and electronic properties is formed on the surface of the nickel-based electrode, more active sites are provided, a metal salt solution is introduced to treat the sodium phosphite, new active components are introduced, and the performance of the catalytic electrode is regulated and controlled through metal deposition and alloying; and the synergistic effect between the introduced metal element and nickel interacts in the catalytic reaction, so that the catalytic activity and selectivity of the electrode are jointly improved.

The invention discloses a reverse molecular design method and system of an organic framework material COFs based on a machine learning and quantitative calculation technology, and relates to the technical field of material science and computer simulation. The photoelectric property of the COFs material can be accurately predicted, and a new material can be directionally synthesized under guidance. A COFs structure database is established, Gaussian is used for representing the fragment structure and electronic characteristics of the COFs, a molecular descriptor and a machine learning algorithm are used for establishing a structure-performance mapping relation, quantitative calculation software is used for obtaining an important target quantity for describing the photoelectric characteristics of the COFs, SHAP is used for carrying out importance analysis, and finally a machine learning model for predicting the photoelectric properties of the COFs is obtained. According to the model, through theoretical prediction of a novel COFs structure, a mapping relation between the COFs structure and photoelectric specificity can be established, and a novel COFs hypothetical structure can be reset according to important molecular fragments or word structures of the important molecular fragments; theoretical guidance can be provided for application in the fields of photoelectric catalysts and the like.

The invention discloses a nonvolatile memory device based on CrMoGe2S6 / Ga2O3 heterostructure tensile strain and a construction method, and belongs to the technical field of nonvolatile memory devices. Comprising the following steps: vertically stacking a single layer of Ga2O3 and a single layer of CrMoGe2S6, and constructing two kinds of CrMoGe2S6 / Ga2O3 heterostructures; performing biaxial tensile strain on the CrMoGe2S6 / Ga2O3 heterostructure, calculating a magnetic ground state and an energy band of the CrMoGe2S6 / Ga2O3 heterostructure under different strains, and screening out the CrMoGe2S6 / Ga2O3 heterostructure which is represented as a ferromagnetic state; and on the basis of the screened CrMoGe2S6 / Ga2O3 heterostructures, two CrMoGe2S6 / Ga2O3 heterostructures with the same tensile strain are selected to construct the nonvolatile memory device. Ferroelectric Ga2O3 is introduced to serve as a switch, the electronic property of CrMoGe2S6 is controlled by the polarization state of Ga2O3, the Ga2O3 which is electrically polarized upward P does not change the semiconductor characteristic of CrMoGe2S6, and the Ga2O3 which is electrically polarized downward P enables the CrMoGe2S6 to present semimetallic property; therefore, the non-volatile electric control of the CrMoGe2S6 between the antiferromagnetic semiconductor and the semimetal is indirectly realized; the characteristic is especially important for a memory device, and can significantly reduce energy consumption and improve data stability.

The invention provides a performance prediction method for a hafnium oxide semiconductor material structure, and relates to the technical field of semiconductor material research and development. The method comprises the following steps: performing global search in an Hf-O binary system by using crystal structure prediction software, determining the most stable two-dimensional Hf2O4 crystal structure, and further confirming the crystal configuration through structure optimization; calculating an Hf2O4 crystal structure by using density functional theory calculation software, and evaluating the dynamic, thermodynamic and mechanical stability of Hf2O4 by using a calculation result system; the electronic property of the Hf2O4 is obtained through further deep calculation, and the structural stability and semiconductor characteristics of the Hf2O4 are verified. According to the invention, through the first principle and the evolutionary algorithm calculation, the simulation calculation is used to replace the traditional trial-and-error experiment, and the novel semiconductor material with high reliability can be efficiently explored; a theoretical basis is provided for the design of a novel high-performance semiconductor material in advanced chip manufacturing, the research and development period can be expected to be remarkably shortened, and the cost can be reduced.

The present disclose provides a sol-gel paste composition of matter that is provided for application to a substrate to form an electrically conductive coating which can be used, for example, as a resistor in a thick-film resistive heater, which a positive temperature coefficient of resistivity (PTCR) as a consequence of the electronic properties of the electrically conductive semiconductors used in the resistor layer and which exhibits self-limiting behavior at elevated temperatures. The composition includes a sol gel solution in which up to 90% by weight (wt. %) of the solution is comprised of conductive and insulative powders in a uniform stable solution.

The application discloses an in-situ testing method for an electron transmission mechanism of an oxygen vacancy modified SrTiO3@Ag nanotube photocatalyst, and belongs to the technical field of energy materials. The method steps are as follows: first, SrTiO3 nanotubes are prepared by an in-situ electrospinning method; a SrTiO3@Ag nanotube is prepared by using a photoreduction method to anchor Ag nanoparticles near oxygen vacancies to construct a Schottky heterojunction. The electron absorption characteristics of the oxygen vacancies and the Ag nanoparticles provide a driving force for the transfer of photo-generated electrons, and the synergistic effect of the oxygen vacancies and the Ag nanoparticles greatly promotes the separation of photo-generated carriers. Subsequently, the migration direction of the photo-generated carriers in the system is characterized by in-situ irradiation XPS technology. By using the in-situ testing method, it is proved that the oxygen vacancies can serve as a "bridge" to transfer the photo-generated electrons activated by the SrTiO3 nanotubes to the active site Ag nanoparticles for a photocatalytic reduction reaction, and the electron transmission mechanism under the catalytic reaction condition is revealed. The method can provide a more convenient, more scientific and more actual scene conforming research mode for the research on the electron transmission mechanism of a photocatalyst with vacancies.

The application relates to an In2O3 / PPy / g-C3N4 heterojunction material synthesized by a solvothermal method and an in-situ polymerization method, which is used for detecting CO2 gas under room temperature and visible light irradiation. The composite material combines the unique electronic properties of In2O3, the high conductivity of PPy and the good visible light absorption characteristics of g-C3N4, improves the photo-generated charge separation efficiency through the heterojunction effect, and significantly improves the detection performance of CO2. The sensing material not only has high sensitivity, low detection limit, good stability and reusability, but also is environment-friendly, conforms to the environmental protection development trend, and has wide application prospects in the fields of environmental monitoring and the like.

The application belongs to the field of antibacterial two-dimensional nanomaterial Mxene catalysts, and particularly relates to a monolayer W@MoS2 nanosheet as well as a preparation method and application thereof. The method comprises the following steps: 1) dissolving water-soluble molybdate and water-soluble tungstate in water to obtain a mixed solution; 2) adding a sulfur source and an organic solvent to the mixed solution, and then performing reaction after mixing, and drying to obtain a powder. The monolayer W@MoS2 nanosheet has a unique two-dimensional planar structure, a large specific surface area, and good optical and electronic properties, and has high light-heat absorption in the near-infrared two region, i.e., the light-heat conversion efficiency is improved. Meanwhile, the peroxidase-like activity of the monolayer W@MoS2 nanosheet material realizes efficient light-heat amplification, can treat methicillin-resistant Staphylococcus aureus infection, and avoids heat therapy damage to normal tissues.

This application provides a flexible transparent semiconductor display thin film material and its preparation method. The material forms a multi-level stacked transparent semiconductor functional layer on a flexible transparent polymer substrate, consisting of alternating high-mobility sublayers and high-stability sublayers with an adjustable thickness ratio, balancing electron mobility and stability. Interface nano-modification layers are respectively set between the semiconductor functional layer, the conductive layer, and the substrate to improve interface adhesion and electronic conductivity. The transparent conductive layer adopts a multi-layer composite structure, including a transparent conductive sublayer and a metal nanolayer, improving conductivity and lifespan. Through structural optimization and interface engineering, this application significantly improves the electronic properties, environmental stability, and flexibility of the flexible thin film while maintaining high transparency, solving the problem of balancing high mobility and high stability in existing technologies. It is applicable to flexible displays, touch screens, and transparent optoelectronic devices.

This invention belongs to the field of composite material technology, specifically disclosing a high-dielectric-constant, low-dielectric-loss polyphenylene sulfide composite material, its preparation method, and its applications. The composite material comprises the following components in parts by weight: 100 parts of polyphenylene sulfide matrix, 10-60 parts of high-dielectric-constant nanofiller, 0.5-8 parts of metal nanoparticles, and 0.5-5 parts of surface modifier. This invention utilizes the aforementioned high-dielectric-constant, low-dielectric-loss polyphenylene sulfide composite material, its preparation method, and its applications. The composite material exhibits a high dielectric constant and achieves low dielectric loss. It also enhances its mechanical strength and toughness, enabling the composite material to maintain its electronic properties while possessing excellent physical properties.

A novel photocatalyst Bi2WO6 / NiO / Ag with hierarchical flower-like Z-scheme heterojunction, which exhibited excellent stability and photocatalytic activity over a wide light spectrum, was synthesized. The as-prepared composites were used in the remediation of real oil sands process water (OSPW) and achieved complete removal of aromatics, classical naphthenic acids (NAs). and heteroatomic NAs after 6 h of photocatalytic treatment. The acute toxicity of OSPW was completely eliminated after only 2 hours of treatment. h+, ·OH and O2·—were found to be the major oxidative species in the photocatalytic system. The enhanced photocatalytic efficiency is the result of the unique Z-scheme electron transfer among electron mediator Ag, NiO, and Bi2WO6 and the SPR effect near Ag, which was supported by the DFT calculations of the electronic properties of Bi2WO6 / NiO / Ag heterostructure.

The application discloses a method for preparing electrode materials by magnetic field-induced ion replacement and electrode materials, and belongs to the technical field of functional material preparation. The method comprises the following steps: loading a cobalt-containing metal organic framework material on the surface of a nickel base material through a self-assembly process, and then placing the loaded composite material in a multi-metal mixed salt solution to perform an ion replacement reaction under the driving of an external magnetic field. The method activates the soft magnetic characteristics of the base material by using a magnetic field, can overcome the steric hindrance and high replacement energy barrier caused by the large difference in ion radius, and can thus realize efficient replacement at normal temperature and pressure, form unique active sites and pore structures, and adjust the electronic properties and charge distribution of the material through the strain effect induced by the difference in ion radius, so that the oxygen evolution activity and stability are optimized. The method does not require complex equipment and harsh conditions, is controllable and simple in operation, has the potential for large-scale preparation, and provides a feasible scheme for reducing the cost and increasing the efficiency of an alkaline electrolytic cell.

The present disclosure relates to a plurality of host materials and organic electroluminescent devices comprising the same. The present disclosure may provide a plurality of host materials having a composition favorable to thermal denaturation due to a low deposition temperature, while improving hole properties and electronic properties of HOMO and LUMO, by comprising separate compounds represented by formulas 1 and 2 into a light-emitting layer. By comprising the plurality of host materials of the present disclosure, it is possible to provide an organic electroluminescent device having a lower driving voltage, higher luminous efficiency and / or longer lifetime.

The application discloses a chromium-doped yttrium oxide crystal material and a structural design method thereof, and belongs to the technical field of inorganic photoelectric functional crystal materials. + The crystal is of R3 trigonal crystal system minimum energy structure, Cr 9‑ The molar doping percentage is 3.125%, occupies a 1b Wyckoff site in a crystal lattice gap, forms [CrO6] 9‑ Regular octahedral coordination, Cr-O bond length is 2.073 angstrom; lattice constants a=b=10.4957 angstrom, c=18.1750 angstrom, a Γ point direct band gap is 3.23 eV, there is no virtual frequency in a phonon spectrum, dynamics is stable, simulated XRD is matched with an experimental spectrum, and Cr-O and Y-O bonds are all ionic bonds. The application realizes accurate determination of a ground state structure, stability verification and electronic property analysis by adopting CALYPSO structure prediction combined with first principle calculation, provides a standardized theoretical design process, and can be used for efficient development of photoelectric functional materials such as solid-state lasers, white light LEDs, solar cells and the like.

The present invention belongs to the field of semiconductor material technology, and in particular to a kind of anthracene-containing organic compound and its preparation method and application. The LUMO electron cloud distribution of the anthracene-containing organic compound provided by the present invention is further delocalized, which can improve the anti-electronic properties of the material and effectively improve the electronic stability of the material. The anthracene-containing organic compound provided by the present invention is based on anthracene as the core, and an aromatic fused ring group is connected to form a parent nucleus through a specific connection site. The parent nucleus can increase the weak interaction within the molecule, effectively reduce the evaporation temperature of the molecule, and improve the thermal durability of the material; further, the parent nucleus can suppress the π-π stacking between molecules, significantly improve the electron mobility of the molecule, and reduce the driving voltage of the device; and, due to the presence of the electron-withdrawing conjugation effect of the parent nucleus, the glass transition temperature of the material is increased, and the thin film stability of the material is effectively improved. As an electron transport material, the compound of the present invention can effectively improve device efficiency and service life.

The invention relates to an apparatus for generating a property associated with a chemical product. A representation providing unit provides a molecular structure representation, and a division unit divides the molecular structure representation into two or more sub-representations based on geometric division and / or electronic division. A solution determination unit causes the quantum computer to generate a solution of the sub-representations, and causes the classical computer to generate solutions of the remaining sub-representations. An intermediate characteristic calculation unit generates an intermediate characteristic, which is an electronic characteristic of the electronic structure, by combining the solutions of these sub-representations. The generation unit generates a characteristic based on the intermediate characteristic.

This invention discloses a α This invention describes a photoresponsive dynamic molecular crystal of cyanodiaryl hydrocarbons, its preparation method, and its application in the preparation of photochromic display materials and photoresponsive information storage devices. The technical solution of this invention is based on electronic structure effects and supramolecular interactions, and is applicable to fluorinated... α The introduction of pyridine substituents into cyanodiaromatic derivatives stabilizes parallel π-stacking dimers. At the same time, the electron-deficient properties of pyridine can reduce the charge density of the aromatic ring, weaken the intermolecular repulsion, and enhance the coulombic attraction. Through intramolecular charge transfer and hydrogen bonding to lock the molecular conformation, axisymmetric photocycloaddition reactions are achieved, accompanied by photomechanical response and tunable luminescence properties.

The application provides a high-pressure phase intersecting metamagnetic material design method based on first principle calculation, and comprises the following steps: constructing a corresponding crystal model based on a plurality of phase structures of a candidate antiferromagnetic material; setting a plurality of potential antiferromagnetic configurations for each phase structure; determining a stable antiferromagnetic configuration under each phase structure; performing structure optimization on each phase to determine a zero-pressure phase and a high-pressure phase of the candidate material, and obtaining a pressure range in which each phase structure stably exists; and performing electronic property calculation, obtaining an electronic band structure of each phase structure of the candidate material through first principle calculation, and judging whether the high-pressure phase of the candidate material has metamagnetism by observing whether the band structure has an intersecting splitting phenomenon. The application uses an economical and accurate method to analyze whether the high-pressure phase of the material has metamagnetism, reduces the calculation cost, avoids a complicated and time-consuming experimental procedure, and thus speeds up the discovery of the metamagnetic material.

A simulation analysis method for anti-relaxation coating performance of an alkali metal air chamber comprises the following steps: on the basis of a density functional theory of a first principle, constructing a physical model of an alkali metal-coating adsorption system, and sequentially executing structure optimization, adsorption energy and electronic property calculation and diffusion energy barrier calculation; three key microscopic physical quantities of adsorption energy, charge migration quantity and diffusion energy barrier are solved in a combined manner, and the relaxation resistance of the coating is represented by using the interaction degree between alkali metal atoms and the coating. The method overcomes the defects that in the prior art, destructive experiments are depended on, characterization parameters are single, and micromechanisms cannot be revealed, a nondestructive, efficient and repeatable performance evaluation means is provided, and a reliable theoretical tool and a quantitative basis are provided for rational design of the anti-relaxation coating and screening of new materials.

The present invention discloses an organic solar cell and a method for regulating its organic-inorganic heterointerface. The present invention passivates metal oxide nanoparticles through conjugated molecular monolayers (SAMs), thereby improving the chemical, electrical and electronic properties of the organic-inorganic heterointerface and realizing a highly efficient and stable organic solar cell. The interface modification method is achieved by blending SAMs with a dispersion of zinc oxide nanoparticles and annealing the spin-coated film at low temperature. By using zinc oxide nanoparticles passivated by SAMs, not only is the current highest photoelectric conversion efficiency of organic solar cells using metal oxides as electron transport layers achieved, but the light stability of the cell is also improved. In addition, the interface material also exhibits the most ideal thickness-insensitive characteristics (up to 300nm).

The application relates to a cation vacancy-rich heterojunction catalytic material and a preparation method and application thereof. The cation vacancies in the catalytic material can effectively adjust the electronic properties of a host material, thereby promoting charge transfer and redox reaction kinetics, and can also serve as additional host sites for inserting protons or alkali metal cations, promoting ion diffusion during electrochemical cycles; the formed cation vacancies can also expose more active sites, improve conductivity, promote mass transfer during the reaction, and thus improve the reaction catalytic activity. In the preparation method, the hydrothermal method process is simple, energy consumption is low, and the method is suitable for a wide range of applications. Raw materials are cheap and easy to obtain, the obtained product has good crystallinity, and the yield is high. The low-temperature reaction consumes less phosphating chemicals, has relatively low energy consumption, and has a higher safety factor.

A semiconductor structure includes a substrate, an active device disposed above the substrate, and a passive device. The active device is disposed in a first region of the substrate, and the passive device is disposed in a second region of the substrate. The semiconductor structure further includes a protective layer covering a top surface of the passive device. The protective layer has an opening exposing the active device. The present invention can significantly reduce the parasitic capacitance normally generated between the source / drain electrodes and the gate electrode of the active device, and can improve the electronic characteristics of the active device.

The invention relates to a TPT detection method in the field of electrochemical analysis and detection, in particular to application of an Au-Cu Janus heterostructure material in trace TPT detection in a water environment, an electrochemical sensor constructed by a glassy carbon electrode modified by the Au-Cu Janus heterostructure material, and a detection method for detecting trace TPT in the water environment by adopting the Au-Cu Janus heterostructure material. According to the invention, the structural characteristics and interface electronic properties of the Au-Cu Janus heterostructure material are systematically researched. On the basis, a glassy carbon electrode (GCE) modified by an Au-Cu Janus heterostructure material is constructed, and an electrochemical sensor of the constructed glassy carbon electrode is used for realizing high-sensitivity electrochemical detection of trace TPT in a water environment. The constructed electrochemical sensor shows excellent selectivity, stability and anti-interference capability, is successfully used for detecting TPT in a natural water sample, and provides a new strategy for rapid monitoring and risk assessment of organic tin pollutants in an environmental system.

The application discloses a photovoltaic performance prediction method and system for ternary systems, and belongs to the technical field of semiconductor device design. The photovoltaic performance prediction method comprises the following steps: determining a target candidate material set based on multi-dimensional characterization data of a candidate third component material; performing microstructure and electronic property simulation on each material in the target candidate material set to obtain structure description parameters and energy characteristic parameters; constructing a photovoltaic device performance prediction model based on the structure description parameters and the energy characteristic parameters; and inputting matching parameters of each component in the ternary system and device preparation process parameters into the photovoltaic device performance prediction model to obtain corresponding photovoltaic performance prediction results.

Aspects of the disclosure relates to articles, compositions, and systems for several optoelectronic applications. In some embodiments, the disclosure relates to the metal organic frameworks (MOF). The MOFs comprise a plurality of metal clusters and a plurality of ligands that are coordinated with the plurality of metal clusters. Some aspects of the disclosure relate to the luminescent MOFs and the various synthetic methods for their preparation. Some aspects also disclose one or more mechanisms unveiled by luminescent MOFs for various OLED applications. In some embodiments, the disclosure relates to the lanthanide-based metal organic frameworks for OLED applications. Some aspects of the disclosure focus on the versatile coordination chemistry shown by the lanthanides along with the structural tunability of MOFs, thereby resulting in exceptional luminescence, high thermal stability and tuneable electronic properties. In some embodiments, the disclosure relates to the enhancement of the luminescent behaviour by the utilization of dual-based lanthanide metal-organic frameworks. Lastly, in some embodiments, the disclosure relates to the zirconium-based and zinc-based MOFs due to their stability and tuneable luminescence behaviour. Thus, the lanthanide-based MOFs play an important role in shaping the future of advanced photonic and optoelectronic devices due to their outstanding characteristic properties and their ability to integrate multiple functionalities within a single framework.

The invention discloses a positive plate and an electrochemical device and electronic equipment comprising the same, and relates to the technical field of electrochemical energy storage. The invention provides a positive plate which comprises a positive current collector, and at least one surface of the positive current collector is provided with a positive active material layer; the positive electrode active material layer is adjacent to the positive electrode current collector; the positive electrode active material layer comprises a positive electrode active material, the positive electrode active material layer comprises a positive electrode active material, and the positive electrode active material comprises a matrix material, carbon quantum dots and a copolymer; the invention provides a positive plate comprising a specific positive electrode active material, the components are selected as additives, a stable protection layer can be formed on the surface of the positive electrode active material in advance through in-situ polymerization, the strong electronegativity of a fluorine group and the electron-withdrawing characteristic structure of a sulfuryl group are combined with the oxidation resistance of carbon quantum dots, multiple protection mechanisms are formed, and the stability of the positive electrode active material is improved. Electrolyte decomposition and cobalt ion dissolution are effectively inhibited.

The invention discloses a preparation method of a 1, 4-diamine compound, which comprises the following steps: in an organic solvent, by taking a difunctional N-free radical precursor (1), non-activated olefin (2) and a Michael receptor (3) as initial raw materials, adding a photosensitizer, and reacting at room temperature under the illumination of visible light for 6-12 hours to prepare a 1, 4-diamine product (A); according to the method, a strategy of inducing olefin 1, 4-diamination reaction by visible light is adopted, so that efficient conversion of olefin with different electronic characteristics and diversified structures is realized. The method has the characteristics of mild reaction conditions, no need of transition metal catalysis, no need of additional oxidants, non-toxic reaction system, environmental friendliness and the like. Meanwhile, the method shows wide applicability and excellent regioselectivity, and has important research value and wide application prospect.

This invention discloses a Ti-O-based high-entropy electronic compound and its preparation method, belonging to the technical field of high-entropy electronic compounds. The preparation method involves mixing Ti powder, TiO2 powder, and metal powders or oxides containing vanadium, zinc, zirconium, and niobium to form a sintered body. This sintered body is then embedded within the Ti powder to obtain the Ti-O-based high-entropy electronic compound. This invention achieves the co-doping of multiple elements in the Ti-O lattice. The high-entropy stabilizing effect induced by the multiple metal components allows the prepared high-entropy electronic compound to retain the crystal structure characteristics of the Ti-O electronic compound (Ti3O). The high-entropy effect induced by the multiple components produces a unique electronic structure and electronic properties, exhibiting high conductivity and low work function, making it suitable as a highly efficient catalytic carrier.

The invention discloses a persistent force-induced color-changing crystal material with a low force response threshold value and ultraviolet light resistance, which is characterized in that phenolsulfonphthalein containing a sulfonate structure is used as a force-sensitive parent nucleus and is applied to color-changing response to hydrostatic pressure for the first time, and a corresponding molecular single-crystal structure with a force-sensitive property is obtained through analysis for the first time; and the specific mechanism of discoloration under the action of force is determined. A series of force-induced discoloration systems corresponding to different colors and threshold pressures are constructed by regulating and controlling the electronic properties and steric hindrance properties of substituent groups in a force-sensitive structure, so that an effective method for regulating and controlling the molecular discoloration threshold pressure by changing a specific site substituent group is proposed. Wherein a force-sensitive material system of which the stress response threshold value is only 2.7 GPa is developed. Due to the fact that the color changing process of the force-sensitive material is not interfered by ultraviolet light, the force-sensitive material can be applied to turbine blades of aerospace instruments, wind tunnel devices, building boundary beams and other force-specific sensing materials under outdoor sunshine scenes.