13 results about "Molecular electronics" patented technology

The invention discloses a monomolecular structure design and generation method based on a large language model, and relates to the crossing field of monomolecular electronics and artificial intelligence. In order to solve the problems of low single molecule design efficiency and insufficient data, SingMolT5 is obtained through field fine tuning on the basis of MolT5, and generation from a natural language to a molecular SMILES is realized. According to the method, data are collected from literatures in the single molecule field and an existing disclosed molecule library, a fine tuning data set containing 329 high-quality instructions is constructed, and the fine tuning data set comprises three basic data types including a molecular skeleton, an anchoring group and molecules. The model is initialized by a MolT5 check point, and a cross entropy loss function is used in the fine tuning process; reasoning, generating and using a beam search strategy; the follow-up evaluation indexes comprise BLEU, Levenshtein, MACCS, RDK, Morga and effectiveness. The method provides an innovative technical path for'low experience and data dependent type single molecule design 'in the field of single molecule electronics, and is particularly suitable for aided design of a single molecule device core function unit and a single molecule sensing probe molecule, namely, a target molecular structure can be quickly converted through a natural language, the design threshold of researchers is reduced, and the design efficiency is improved. And a traceable technical basis can be provided for screening and iteration of a monomolecular structure based on a high-quality data set and rigorous evaluation logic.

The invention relates to a destructive quantum interference effect regulation and control method based on dihydrophenazine molecules, and belongs to the technical field of molecular electronics. Two nitrogen atoms are introduced into a central benzene ring of a traditional diphenylanthracene molecule to prepare a dihydrophenazine molecule, and a new electron transmission path is introduced while the good electron transmission characteristic of diphenylanthracene is reserved, so that the quantum interference effect is accurately controlled. On the basis of a scanning tunneling microscope split junction technology, conductivity testing is carried out on the molecule under different testing solvents, concentrations and voltages, and it is found that the conductivity value of the nitrogen atom introduced dihydrophenazine molecule is remarkably reduced. The core of the invention lies in that the interference on the electron wave function is realized through the elaborate design of the molecular structure, and the destructive quantum interference effect is effectively adjusted. The method not only provides a new possibility for regulation and control of the quantum interference effect, but also shows a wide application prospect in the fields of molecular electronic devices, such as molecular field effect transistors and molecular circuits.

The invention belongs to the technical field of molecular electronics, and particularly relates to a method for constructing a fixed-area molecular tunnel junction and an electrical property testing method.The method comprises the steps that a circular array mask is prepared, a gold target is deposited on the surface of a glass sheet, and a circular gold array is obtained; the gold-glass transparent array electrode is soaked in a molecular solution, when molecule self-assembly is completed, the surface is washed and dried, and the gold-glass transparent array electrode with the surface containing a self-assembly monomolecular film is obtained; preparing a gallium-indium alloy electrode; the gold-glass transparent array electrode is placed on an objective table, the tip of the gallium-indium alloy electrode is in contact with the circular gold array, the other end of the gallium-indium alloy electrode is led out to be in contact with the metal probe electrode, a current test loop is formed, and a fixed-area molecular tunnel junction is formed; compared with a traditional metal electrode, the gold-glass transparent array electrode has the advantage that adverse factors such as personal errors of molecular junction electrical property test results are effectively reduced.

The application discloses a reversible single-molecule switch based on local cation regulation and belongs to the technical field of molecular electronics. The application is based on the crack junction technology of an electrochemical scanning tunneling microscope. The distribution of local cations in an interface double electric layer is changed by controlling an electric potential, so that the state of a carboxylic acid molecule is influenced. The contact action of the carboxylic acid molecule and a gold needle tip is adjusted, and a single-molecule switch is realized. The electric potential is-0.5-0V. The application proves the influence of local cations in an electrochemical interface on carboxyl molecules, and opens up a new way for realizing the practical application of a reversible single-molecule switch through a gate electrode.

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.

In various embodiments, synthetic bridge molecules are disclosed, usable in molecular electronics sensors. In various aspects, bridge molecules comprise fused ring polycyclic aromatic hydrocarbon structures in the shape of a long and narrow ribbon, with end groups on opposite short ends for selective binding to metal electrodes, one or more substituents near the midpoint of a long edge for binding to a probe molecule, and one or more additional substituent groups for solubility or other effects. In various embodiments, the bridge molecules herein are conducting, and provide a closed circuit in a sensor when forming a bridge between gapped electrodes.

To provide a synthetic peptide, in particular a conductive synthetic peptide with an alpha helix conformation used as a molecular wire in molecular electronics.SOLUTION: In various embodiments, a synthetic peptide used as a molecular wire in a molecular electronic circuit comprises an alpha helical segment further comprising repeating alpha helix motifs. The synthetic peptide may further comprise at least one specific conjugation site between the termini for attachment to 5 molecules such as a binding probe, and may further comprise termini having metal binding functionalities such as repeats of material binding sequences. In various aspects, the synthetic peptide comprises intramolecular hydrogen bonding, salt bridges, and optionally, aromatic rings that provide electrical conductivity through the peptide.SELECTED DRAWING: Figure 2

The present invention belongs to the technical field of molecular electronics optical detection, and relates to a method for detecting charge transport in long-distance DNA molecular wires. By using DNA self-assembly technology, an interface of gold nanoparticles (AuNP) / DNA molecular wire / electrode is prepared. Combining with a plasmon-based electrochemical current imaging system, the charge transport process through the long-distance DNA molecular wire between interfaces can be detected in an aqueous environment. By using the quantitative relationship between the optical image intensity and the redox reaction occurring on a single particle, the transport current in the DNA molecular wire between a single AuNP / electrode interface can be quantitatively analyzed in real time. The method of the present invention has the characteristics of high sensitivity and high spatial resolution, and can quantitatively measure the transport current through the DNA molecular wire at a single nanoparticle / interface without interference and in-situ online, and study the influence of the structure and size of the DNA molecular wire on the charge transport behavior, providing an effective tool for the research of DNA-based molecular electronics.

The invention relates to a method for regulating and controlling DNA (deoxyribonucleic acid) charge transfer by a covalent small molecule drug, and belongs to the field of molecular electronics. The method aims at solving the problems that in the prior art, DNA internal charge transmission is difficult to flexibly regulate and control, and experiment repeatability is poor. According to the technical scheme, the method comprises the following steps: acquiring a drug-DNA covalent conjugate model from a PDB database and modifying the drug-DNA covalent conjugate model into a specific sequence; obtaining a stable conformation through molecular dynamics simulation; calculating the conductivity and the charge transmission rate by adopting a density functional theory and an unbalanced green function; and analyzing HOMO wave function distribution and state density to reveal a regulation rule. According to the invention, accurate and stable regulation and control of DNA charge transfer are realized, the experiment repeatability is remarkably improved, and a new way is provided for application of DNA in molecular electronic devices.

The invention discloses a single-molecule switch for regulating and controlling metal-molecule contact based on an inductive effect, and belongs to the field of nanotechnology and single-molecule electronics. The single-molecule switch for regulating and controlling metal-molecule contact based on the inductive effect comprises an electrolyte containing Lewis acid, a needle tip, a substrate and Lewis base molecules which are adsorbed on the substrate and contain pyridine groups, the electronic property of pyridine nitrogen in a pyridine group-containing Lewis base molecule adsorbed on a substrate is adjusted by regulating and controlling the electrode potential, so that the interaction between the pyridine nitrogen and Lewis acid is influenced, the communication state of the pyridine nitrogen and a needle tip is regulated and controlled, and a single-molecule switch is realized. According to the invention, the formation and fracture of Lewis acid-base bonds are controlled by using an inductive effect, so that the fracture and connection of pyridine nitrogen and a needle tip are influenced, and a reversible single-molecule switch is realized. The method for in-situ regulation and control of the contact between the molecule and the metal through the inductive effect provides a new way for realizing a single-molecule switch device.

The application belongs to the field of material chemistry and molecular electronics, and discloses a preparation method of gold nanorod assembly. The method comprises the following steps: providing a dispersion system containing a plurality of gold nanorods in a liquid medium; introducing a heterocyclic assembly molecule anchored on the surface of the gold nanorod into the dispersion system, wherein the heterocyclic assembly molecule contains a structural rigid aromatic heterocycle, a sulfur-containing anchoring group forming a coordination bond with the gold surface, and a group or atom capable of forming a hydrogen bond; the gold nanorod assembly contains at least two gold nanorods and the heterocyclic assembly molecule on each gold nanorod, and the two gold nanorods are connected by the hydrogen bond supramolecular interaction between the complementary functional groups of the heterocyclic assembly molecules. The preparation of the gold nanorod assembly with high yield and linear orientation is realized by using the heterocyclic assembly molecule.

In various embodiments, synthetic bridge molecules are disclosed, usable in molecular electronics sensors. In various aspects, bridge molecules comprise fused ring polycyclic aromatic hydrocarbon structures in the shape of a long and narrow ribbon, with end groups on opposite short ends for selective binding to metal electrodes, one or more substituents near the midpoint of a long edge for binding to a probe molecule, and one or more additional substituent groups for solubility or other effects. In various embodiments, the bridge molecules herein are conducting, and provide a closed circuit in a sensor when forming a bridge between gapped electrodes.