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9 results about "Molecular solid" patented technology

A molecular solid is a solid consisting of discrete molecules. The cohesive forces that bind the molecules together are van der Waals forces, dipole-dipole interactions, quadrupole interactions, π-π interactions, hydrogen bonding, halogen bonding, London dispersion forces, and in some molecular solids, coulombic interactions. Van der Waals, dipole interactions, quadrupole interactions, π-π interactions, hydrogen bonding, and halogen bonding (2-127 kJ mol⁻¹) are typically much weaker than the forces holding together other solids: metallic (metallic bonding, 400-500 kJ mol⁻¹), ionic (Coulomb’s forces, 700-900 kJ mol⁻¹), and network solids (covalent bonds, 150-900 kJ mol⁻¹). Intermolecular interactions, typically do not involve delocalized electrons, unlike metallic and certain covalent bonds. Exceptions are charge-transfer complexes such as the tetrathiafulvane-tetracyanoquinodimethane (TTF-TCNQ), a radical ion salt. These differences in the strength of force (i.e. covalent vs. van der Waals) and electronic characteristics (i.e. delocalized electrons) from other types of solids give rise to the unique mechanical, electronic, and thermal properties of molecular solids.

Solid electrolyte and power storage device

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.
Owner:TOAGOSEI CO LTD

Method for growing p-msb molecular crystal thin film based on solvent vapor assisted growth with controllable layer number

PendingCN122327349ASolvent vaporFilm base
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.
Owner:OPLUXCARE (WUHAN) TECHNOLOGY CO LTD

Alpha-cyanodiaromatic hydrocarbon photoresponsive dynamic molecular crystal, preparation method and application thereof

PendingCN122444639ACycloadditionCyanogen fluoride
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.
Owner:临沂职业学院

Method for directional construction of eugenol-based supramolecular co-crystal system and products and applications thereof

PendingCN122102859AEther separation/purificationUrea compound fertilisersCrystal systemMolecular solid
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.
Owner:沈阳中科新型肥料有限公司

High throughput second harmonic generation microscopy accelerating non-centrosymmetric material discovery through megalibraries

PCT designated stageWO2026107015A1Radiation pyrometryComponent separationMolecular solidHigh flux
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.
Owner:NORTHWESTERN UNIV

First-principles screening method for inorganic molecular crystal gate dielectrics

PendingCN122290774AImprove development efficiencysimple methodElectronic structureGate dielectric
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.
Owner:UNIV OF ELECTRONICS SCI & TECH OF CHINA

Molecular crystal, solid electrolyte, and power storage device

PendingCN122295737AMolecular solidSulfur
The present invention provides a molecular crystal comprising an organic molecule and an alkali metal salt, wherein the organic molecule has at least one atom selected from nitrogen, sulfur and phosphorus, and an oxygen atom, and the molecular crystal has a melting point of 80°C or higher.
Owner:TOAGOSEI CO LTD

A method and system for high-throughput screening of thermodynamically stable molecular crystal forms

PendingCN122337360AHigh-Throughput Screening MethodsChemical physics
This invention proposes a high-throughput screening method and system for thermodynamically stable molecular crystal forms, belonging to the field of molecular crystal technology, to solve the problems of inefficiency and inaccuracy in existing methods for screening the most thermodynamically stable crystal forms. The method includes: Step S1, calculating the lattice energy of the molecular crystal using a quantum mechanical method considering dispersion interactions, and establishing a lattice energy database containing molecular crystal structures and their corresponding lattice energies; Step S2, based on the lattice energy database, constructing a quantitative prediction model between crystal structure and lattice energy using a deep graph neural network, wherein the quantitative prediction model is used to predict the lattice energy corresponding to an unknown crystal structure; Step S3, coupling the trained quantitative prediction model with the crystal structure prediction process; generating candidate crystal structures of the target molecular crystal using the crystal structure prediction method, using the quantitative prediction model to predict the lattice energy of the candidate crystal structures, and screening out thermodynamically stable candidate crystal forms based on the predicted lattice energy.
Owner:SICHUAN UNIV

Solid electrolyte, curable composition, and power storage device

A solid electrolyte comprising a molecular crystal and a (meth)acrylic acid-based crosslinked polymer, said molecular crystal comprising an organic molecule having at least one atom selected from sulfur, oxygen, nitrogen and phosphorus, and an alkali metal salt, said (meth)acrylic acid-based crosslinked polymer substantially not comprising structural units derived from (meth)acrylates having an ether group (excluding ether groups in heterocycles).
Owner:TOAGOSEI CO LTD