44 results about "Molecular solid" patented technology

The invention discloses a method for predicting the irradiation chemical damage degree of a molecular crystal, and the method comprises the steps: carrying out the data preparation, building a training data set, carrying out the preprocessing of the data, constructing a prediction model of the irradiation chemical damage of the molecular crystal through XGBoost after the preprocessing, and carrying out the prediction of the irradiation chemical damage degree of the molecular crystal through the XGBoost. And calculating the contribution degree of each feature to model prediction according to XGBoost, and calculating a feature interaction effect on the contribution of each feature by using an SHAP method to obtain irradiation sensitive molecular group data. The method has the advantages that limitation of single energy scale of a traditional empirical model is broken through, key damage sensitive factors such as molecular groups and bond dissociation energy can be revealed through cross-scale feature fusion and model interpretability analysis, irradiation damage prediction is promoted to be transformed from an empirical formula to an intelligent calculation normal form by the technology, and the method is suitable for large-scale popularization and application. And an interdisciplinary solution is provided for life evaluation of space electronic devices, nuclear reactor material design, energetic molecular structure optimization and the like.

This invention discloses an organic synaptic device with high polarization sensitivity and a method for its preparation, belonging to the fields of optoelectronic materials and neuromorphic computing. The device comprises, from bottom to top, a first solid-phase substrate, a capture layer, and an active layer. The active layer comprises a first and second two-dimensional organic molecular crystal films, both in contact with the capture layer. The second two-dimensional organic molecular crystal film partially overlies the first two-dimensional organic molecular crystal film to form a type II bandgap heterojunction. A first electrode is disposed on the surface of the first two-dimensional organic molecular crystal film, and a second electrode is disposed on the second two-dimensional organic molecular crystal film. This device successfully overcomes the intrinsic anisotropy limitations of two-dimensional semiconductor materials, significantly reducing device noise while significantly enhancing both light response intensity and polarization detection capabilities.

The present application discloses a low-viscosity silane-terminated resin for a sealant and a preparation method thereof, and belongs to the technical field of sealants. The present application firstly uses an alcohol initiator, an alkali earth metal and epoxy alkane to synthesize a low-molecular-weight polymer, then adds a polymetallic cyanide catalyst and the epoxy alkane to synthesize a high-molecular-weight polymer, and finally adds carboxylate metal and isocyanate silane to react to obtain the silane-terminated resin. A short chain segment is successfully introduced into a molecule, and an original molecular crystal is destroyed, to achieve intramolecular plasticization, so that its molecular chain becomes flexible and is easy to move, thus the purpose of reducing viscosity is achieved.

The invention relates to the technical field of novel functional materials, in particular to an imine compound, a preparation method of the imine compound, a composite material and a preparation method of the composite material. The imine compound disclosed by the invention can generate reversible photoisomerization response through proton transfer and bond rotation in molecules of the imine compound; and the imine compound mainly exists in a molecular crystal state, so that the angle change between two naphthalene rings in a molecule caused by bond rotation can cause lattice deformation and further cause deformation of the whole molecular crystal, and therefore, the imine compound can show reversible photoisomerization response under visible light irradiation. According to the imine compound, when visible light illumination is given to the molecular crystal of the imine compound, photoinduced volume shrinkage and expansion can occur, the imine compound has strong light isomerization response under visible light, the functionality and application scene of the imine compound can be effectively expanded, and meanwhile the variety of photoisomerization materials can be enriched.

To provide a solid electrolyte capable of improving ion conductivity.SOLUTION: Wherein the molecular crystal includes a sulfolane-based compound and 112233, - hexafluoropropane-1, 3-disulfonimide lithium (LiCFSA) as a lithium salt, and the inorganic filler is SiO2, A normalized surface area WA (1g / gSE) of the inorganic filler is 15 to m2 / gSE, where W (g / gSE) is a mass of the inorganic filler with respect to m2 of the inorganic filler, and A (900m2 / g) is a specific surface area of the inorganic filler.SELECTED DRAWING: Figure 1

A solid electrolyte containing a molecular crystal and a fluorine-containing polymer, the molecular crystal including an organic molecule having at least one kind of atom selected from a sulfur atom, an oxygen atom, a nitrogen atom, and a phosphorus atom, and an alkali metal salt, the solid electrolyte having a diffraction spectrum derived from the molecular crystal in X-ray diffraction.

The invention discloses an organic synaptic device with high polarization sensitivity and a preparation method of the organic synaptic device, and belongs to the technical field of photoelectric materials and neuromorphic computation.The organic synaptic device comprises a first solid-phase substrate, a capture layer and an active layer from bottom to top, the active layer comprises a first two-dimensional organic molecule crystal film and a second two-dimensional organic molecule crystal film which are in contact with the capture layer, the second two-dimensional organic molecule crystal film is partially stacked on the first two-dimensional organic molecule crystal film to form an II-type energy band heterojunction, and a first electrode is arranged on the surface of the first two-dimensional organic molecule crystal film; and a second electrode is arranged on the second two-dimensional organic molecular crystal film. The device successfully breaks through the intrinsic anisotropy limitation of a two-dimensional semiconductor material, the noise of the device is remarkably reduced, and the light response intensity and the polarization detection capability are greatly enhanced.

The invention discloses a method for precisely cutting an organic molecular crystal with a specific shape through light / heat and an information encryption technology. The organic molecular crystal is (2Z, 4E)-2-(naphthalene-2-yl)-5-(p-methoxyphenyl) pent-2, 4-diene nitrile, the organic molecular crystal is crystallized in a solvent through a volatilization method to obtain a flaky crystal, the crystal is treated through light treatment and other external stimulation means to obtain a monomer and a dimer of the crystal, the crystal generates component physical property difference in situ, and the organic molecular crystal is prepared into the organic molecular crystal. For example, melting point and luminousness. And carrying out accurate and non-destructive cutting on the molecular crystal through heating processing. Furthermore, the property that fluorescence is enhanced after ultraviolet irradiation is combined with melting point difference, a reasonable logic gate is designed, and the method can also be applied to the fields of information encryption and the like.

A solid electrolyte containing a molecular crystal, and an inorganic filler, wherein: the molecular crystal contains a sulfolane-based compound, and 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonimide lithium (LiCFSA) as a lithium salt; the inorganic filler is SiO2; and assuming that a mass of the inorganic filler per g of the solid electrolyte is W (g / gSE) and that a specific surface area of the inorganic filler is A (m2 / g), a normalized surface area WA (m2 / gSE) of the inorganic filler is 15 to 900 m2 / gSE.

This invention relates to organic functional thin films, specifically to a method for growing controllable number of layers using solvent vapor-assisted growth. p A method for preparing MSB molecular crystal thin films, and the application of these films in generating superoxide ions under light irradiation for antibacterial protection. This method addresses the limitations of existing solution drop casting epitaxy methods for preparing... p To address the problems of uncontrollable layer number, limited area, and insufficient reactive oxygen generation efficiency in MSB molecular crystal thin films, this invention utilizes toluene vapor atmospheres of varying concentrations to control the solvent evaporation rate, thereby achieving... p The few-layer, large-area, and uniform growth of MSB molecular crystal thin films allows for the regulation of molecular arrangement and electronic structure, promoting electron localization and efficient electron transfer to oxygen molecules under illumination, thus significantly improving the generation efficiency and stability of superoxide ions.

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 discloses a method for directional construction of eugenol-based supramolecular co-crystal system and application of the product, and belongs to the field of agricultural chemistry and supramolecular crystal engineering technology. The method comprises the following steps: selecting eugenol as a hydrogen bond donor molecule through rational molecular design, selecting nicotinamide or 2-pyridinecarboxylic acid as a co-crystal ligand according to the quantitative screening standards of hydrogen bond acceptor strength (pKa value), molecular geometric length and specific functional groups, dissolving the two in a mixed solvent with a specific dielectric constant range at a 1:1 molar ratio, and obtaining a supramolecular co-crystal product with a clear structure through programmed temperature uniform cooling crystallization, aging and drying. The product has stable crystal structure, pH-responsive release characteristics and slow-release performance better than that of a physical mixture. The product is added to urea at an addition amount of 0.5% to 5.0%. The application realizes directional construction of co-crystals from empirical screening to rational design, structure control and performance prediction, and provides a reliable material platform for nitrogen fertilizer efficiency.

The present disclosure describes non-classical (e.g., quantum) computing systems and methods that utilize dopant molecules contained in host materials as qubits. The dopant molecules generally comprise ground-state triplet (GST) molecules, such as carbenes or nitrenes. The host materials generally comprise organic molecules. Precursors to the dopant molecules can be embedded in the host materials and then subjected to ultraviolet (UV) or visible light to form dilute molecular crystals comprising the dopant molecules embedded in the host materials. The triplet sub-levels of the dopant molecules may be manipulated using electromagnetic (EM) radiation such as optical, radiofrequency (RF), and / or microwave (MW) radiation to conduct non-classical computing operations.

The invention discloses a molecular crystal for realizing broadband photo-induced mechanical motion through thermal polymorphic transformation as well as preparation and application of the molecular crystal. Relates to a 4-[(1Z, 3E)-1-cyano-4-phenyl-1, 3-butadiene-1-yl] benzonitrile molecular crystal, and a bulk crystal (Form I) can be obtained through a solvent method. When the Form I is heated to 142-165 DEG C, thermal phase change from single crystal to single crystal can occur, and the Form I is converted into Form II, so that the light response range is expanded from ultraviolet light (365 nm) to visible light (490 nm), meanwhile, the types of light products are increased, and optical mechanical behaviors are enriched. The Form II can show various optical mechanical behaviors such as fragmentation, movement, jumping and the like under the irradiation of visible light. And a film prepared by compounding the graphene / PVA composite material and PVA has good flexibility and repeatable bending performance, can push an object which is heavier than the graphene / PVA composite material by several times, and has application potential in the fields of optical driving devices, soft robots and the like.

Techniques herein include methods for coating a single layer actuator film or multi-layer actuator film on the backside of a wafer. The actuator film includes one or more chemical actuators. Chemical actuators are various molecules, crystals, chemical compounds and other chemical compositions that are capable of imposing directional stress in response to application of an external stimulus on the chemical actuator. The external stimulus can include a particular wavelength of light or polarization of light, or heat (or directed infrared radiation) or load, which can include load-responsive actuation or pressure-responsive actuation.

A porous supramolecular crystal having a catenated superstructure and methods of making and using the same are disclosed.

A method for manufacturing a semiconductor device having an organic semiconductor material is provided. The method includes performing a large-area solution shearing step to form a monolayer (1L) or bi-layer (2L) C10-DNTT crystals with low shearing speed and forming Au electrodes by thermal evaporation on a wafer. The large-area solution shearing step is performed at a temperature in a range between about 60° C. and about 65° C. and with a shearing speed in a range between about 2 μm / sand about 3 μm / s. The 1L or 2L crystals have single-crystalline domains extending over several millimeters. An organic field-effect transistor (OFET) comprising an active layer that comprises a monolayer (1L) or bi-layer (2L) C10-DNTT crystals formed according to the method is also provided.

The present invention provides an elastic organic crystal material with multi-level stimulus-responsive room temperature phosphorescence, a preparation method and its application. The elastic organic crystal material with multi-level stimulus-responsive room temperature phosphorescence is a single-component benzil derivative having a structure shown in general formula (I). After grinding or thermal annealing the organic single-component benzil derivative crystal, conversion between room temperature phosphorescences of different emission wavelengths can be achieved. After applying a certain external force to the upright organic small molecule crystal, it will undergo an elastic bending, and after the external force is removed, it will return to its original upright state. The single-component organic small molecule crystal optical material of the present invention has the properties of multi-level stimulus-responsive room temperature phosphorescence and elasticity, and can be used in optoelectronic devices, display materials, information storage materials or anti-counterfeiting materials.

The application belongs to the technical field of energy materials, and provides a low-temperature response organic molecular crystal, a preparation method thereof and application thereof as an energy material. 18 H 14 N2O)and compound 2 (C 18 H 12 N2O2)two kinds of cold braking flexible crystals, green (compound 1) and white (compound 2) needle-shaped crystals can be prepared by a liquid phase diffusion method, the fluorescence quantum efficiencies of the two are 0.62 and 0.67 respectively under 365nm ultraviolet light excitation, and the crystals can realize optical signal transmission as optical waveguide devices in straight state and curved state, and the optical loss is low. The crystal will have an instantaneous explosive transition at-120℃, with impact energy release, which can affect the surrounding environment, and the luminescent performance remains unchanged before and after the explosion, and the crystal can be used as an energy material at low temperature. The finding provides a new idea for the development of low-temperature propellant materials and the exploration of low-temperature energy conversion crystals, and has great application potential in the field related to low temperature.

A molecular crystal is produced by a method comprising: a step for obtaining a mixture by mixing an organic molecule having at least one type of atom selected from the group consisting of a sulfur atom, an oxygen atom, a nitrogen atom and a phosphorus atom with an alkali metal salt while applying mechanical energy; and a step for heating the mixture.

The invention relates to the technical field of functional oxide single crystal materials, and discloses a niobium-added strontium titanate single crystal and a preparation method thereof. The niobium-added strontium titanate single crystal is composed of a modified strontium titanate precursor, a niobium source dopant, an organic small molecule crystal growth regulator, a mineralizer, a flux and a lattice stabilizer, wherein the modified strontium titanate precursor is a coordination modified precursor system formed by a titanium source and a strontium source under the action of an organic carboxylic acid modifier; the small organic molecule crystal growth regulating agent is a nitrogen-containing heterocyclic ring small organic molecule. Through the synergistic effect of the modified precursor and the organic small molecule crystal growth regulating agent, uniform distribution of niobium in the strontium titanate single crystal is realized, and the single crystal nucleation and growth process is effectively regulated. On the premise of ensuring the stability of a strontium titanate main body lattice structure, the crystal integrity, the electrical property consistency and the process stability of the niobium-added strontium titanate single crystal are remarkably improved, and the method is suitable for preparing a high-quality functional oxide single crystal material.

A solid electrolyte according to the present invention contains: a molecular crystal that includes, as constituent units, an organic molecule that includes at least one type of atom selected from the group that consists of sulfur atoms, oxygen atoms, nitrogen atoms, and phosphorous atoms and an alkali metal salt; and a non-crosslinked polymer that has a principal chain that does not substantially include a repeating unit represented by -(R-O)- (in which R is an alkylene group).

The invention relates to a cobalt-based ferroelectric single-molecule magnet molecular crystal and a preparation method and application thereof, and belongs to the technical field of molecule-based magnetic materials. The chemical formula of the cobalt-based ferroelectric single-molecular magnet molecular crystal is [(CH3) 3S] 4 [Co (NCBH3) 6]. According to the invention, through the rational design of the molecular structure of an A4 [M (NCX) 6] type compound, the ordered-disordered phase change of organic cations is regulated and controlled to induce the symmetry breaking of the crystal so as to generate ferroelectricity; meanwhile, the transition metal center is endowed with strong magnetic anisotropy through ligand field engineering, so that the single-molecule magnet characteristic is realized, and the cobalt-based molecular crystal with the single-phase coexisting ferroelectricity and the single-molecule magnet characteristic is finally obtained; the problem that an existing A4 [M (NCX) 6] type compound cannot synergistically integrate ferroelectricity and the characteristics of a single-molecule magnet is solved.

Semiconductor devices including two-dimensional materials and methods of making the same are disclosed. The semiconductor device may include: a channel layer including a two-dimensional material layer and a molecular crystal layer on the two-dimensional material layer, the two-dimensional material layer including a two-dimensional semiconductor material; a source electrode and a drain electrode, which may be on both sides of the channel layer, respectively; and a gate insulating layer and a gate electrode, respectively, on the channel layer between the source electrode and the drain electrode. The molecular crystal layer may include a C20-C40 sheet aromatic compound, and may have a thickness of 1 to 5 molecular layers.

A method for screening molecular crystal megalibraries for non-centrosymmetric structure can include scanning a substrate comprising a plurality of molecular crystals with a tunable laser, a focusing objective, and a detector, to identify molecular crystals emitting a second harmonic generation (SHG) signal. The method also includes correlating the regions having an SHG signal with elemental composition and optical images to identify compositions of molecular crystals having a non-centrosymmetric crystalline structure. The method can be performed at a plurality of measuring temperatures to identify the Curie temperature of a composition. The method can further include designing a composition with a target Curie temperature.

This invention relates to the field of inorganic molecular crystal technology, specifically a first-principles screening method for inorganic molecular crystal gate dielectrics, comprising the following steps: constructing a potential cage-like molecular crystal model; optimizing the structure of the cage-like molecular crystal model to find the most stable configuration; calculating the static dielectric constant of the most stable configuration, including contributions from ions and electrons; and calculating the electronic structure of the most stable configuration to obtain the material's band structure, band gap, density of states distribution, and electronic localization function. This invention, through first-principles calculations and the introduction of new evaluation indicators, rapidly and accurately screens materials with cage-like IMCs that possess gate dielectric application performance. Compared to the numerous steps involved in experimental preparation and testing, this method is fast and convenient, effectively guiding targeted experiments and improving the efficiency of new material development.

The invention is applicable to the technical field of energy materials, and provides a low-temperature response type organic molecular crystal, preparation thereof and application of the low-temperature response type organic molecular crystal as an energy material. Two cold braking flexible crystals of a compound 1 (C18H14N2O) and a compound 2 (C18H12N2O2) are synthesized, green (compound 1) and white (compound 2) needle-shaped crystals can be prepared through a liquid phase diffusion method, the fluorescence quantum efficiencies of the green (compound 1) and white (compound 2) needle-shaped crystals under excitation of 365nm ultraviolet light are 0.62 and 0.67 respectively, the green (compound 1) and white (compound 2) needle-shaped crystals can serve as optical waveguide devices to achieve optical signal transmission in a straight state and a bent state, and optical loss is low. The crystal can be subjected to instantaneous explosive transformation at-120 DEG C, along with impact energy release, the surrounding environment can be influenced, the luminescence property is kept unchanged before and after explosion, and the crystal can be used as an energy material at low temperature. The discovery provides a new thought for low-temperature promotion material development and low-temperature energy conversion crystal exploration, and has great application potential in low-temperature related fields.

The present invention provides a piezoelectric elastomer material and its preparation method and application, relating to the technical field of piezoelectric materials. The piezoelectric elastomer material includes piezoelectric molecular crystals and a polymer elastic matrix, the polymer elastic matrix forms an elastic skeleton of a three-dimensional network structure, the piezoelectric molecular crystals are connected to the three-dimensional network structure by hydrogen bonds, and are filled in the pores of the elastic skeleton, the components of the piezoelectric molecular crystals include hexafluoropentanediol or dodecafluorononanediol, the components of the polymer elastic matrix include degradable waterborne polyurethane polymers or degradable polyester polymers, and the mass ratio of the piezoelectric molecular crystals to the polymer elastic matrix is ​​(0.2-3):1. The piezoelectric elastomer material has sufficient strength and hardness, good elasticity and flexibility, high piezoelectric coefficient, excellent biocompatibility, safe degradability or can be excreted from the body through the biological metabolic system, solving the biosafety problems encountered in the application of piezoelectric materials in the biomedical field.

The present disclosure describes non-classical (e.g., quantum) computing systems and methods that utilize dopant molecules contained in a host material as qubits. The dopant molecules generally include triplet ground state (GST) molecules such as carbenes or nitrenes. The host material generally includes organic molecules. Precursors to the dopant molecules are embedded in the host material and then subjected to ultraviolet (UV) or visible light to form a dilute molecular crystal containing the dopant molecules embedded in the host material. The triplet sub-levels of the dopant molecules can be manipulated using electromagnetic (EM) radiation such as optical, radio frequency (RF), and / or microwave (MW) radiation to perform non-classical computing operations.

This invention belongs to the field of computational chemistry of energetic materials, specifically relating to a method for evaluating the stability of substances based on the decomposition of initial bonds in the molecular crystal of energetic compounds. This method addresses the technical problems that the "bond energy method" is not applicable to molecular crystal models, and the "bond order method" cannot compare the stability of compounds laterally. By calculating the energy levels of chemical bonds within the molecular crystal of energetic compounds, this invention can both vertically compare the strength of all chemical bonds in the system to determine the initial bonds to decompose, and horizontally compare the energy levels of the initial bonds decomposed in different energetic compounds to determine the stability of the substances, thus overcoming the shortcomings of the existing "bond order method."