Abstract: A catalyst structure includes: (1) a substrate; (2) a catalyst layer on the substrate; and (3) an adhesion layer disposed between the substrate and the catalyst layer. In some implementations, an average thickness of the adhesion layer is about 1 nm or less. In some implementations, a material of the catalyst layer at least partially extends into a region of the adhesion layer. In some implementations, the catalyst layer is characterized by a lattice strain imparted by the adhesion layer.

Abstract: A supported catalyst includes: (1) a catalyst support; and (2) deposits of a catalyst covering the catalyst support, wherein the deposits have an average thickness of about 2 nm or less, and the deposits are spaced apart from one another.

Abstract: A catalyst structure includes: (1) a substrate; (2) a catalyst layer on the substrate; and (3) an adhesion layer disposed between the substrate and the catalyst layer. In some implementations, an average thickness of the adhesion layer is about 1 nm or less. In some implementations, a material of the catalyst layer at least partially extends into a region of the adhesion layer. In some implementations, the catalyst layer is characterized by a lattice strain imparted by the adhesion layer.

Abstract: Approaches, techniques, and mechanisms are disclosed for predicting molecular electronic structural information. According to one embodiment, quantum simulation results are generated for a molecule based on a quantum simulation of an electronic structure of the molecule. The quantum simulation of the electronic structure of the molecule is performed with quantum processing units. An input vector comprising data field values derived from the quantum simulation results for the molecule is created. An electronic structural information prediction model is applied to generate, based at least in part on the input vector, predicted electronic structural information for the molecule.

Abstract: Approaches, techniques, and mechanisms are disclosed for predicting molecular electronic structural information. According to one embodiment, quantum simulation results are generated for a molecule based on a quantum simulation of an electronic structure of the molecule. The quantum simulation of the electronic structure of the molecule is performed with quantum processing units. An input vector comprising data field values derived from the quantum simulation results for the molecule is created. An electronic structural information prediction model is applied to generate, based at least in part on the input vector, predicted electronic structural information for the molecule.

Abstract: A manufacturing process includes: depositing a first catalyst on a first gas diffusion layer (GDL) to form a first catalyst-coated GDL; depositing a first ionomer on the first catalyst-coated GDL to form a first gas diffusion electrode (GDE); depositing a second catalyst on a second GDL to form a second catalyst-coated GDL; depositing a second ionomer on the second catalyst-coated GDL to form a second GDE; and laminating the first GDE with the second GDE and with an electrolyte membrane disposed between the first GDE and the second GDE to form a membrane electrode assembly (MEA). A MEA includes a first GDL; a second GDL; an electrolyte membrane disposed between the first GDL and the second GDL; a first catalyst layer disposed between the first GDL and the electrolyte membrane; and a second catalyst layer disposed between the second GDL and the electrolyte membrane, wherein a thickness of the electrolyte membrane is about 15 ?m or less.

Abstract: A catalyst structure includes: (1) a substrate; (2) a catalyst layer on the substrate; and (3) an adhesion layer disposed between the substrate and the catalyst layer. In some implementations, an average thickness of the adhesion layer is about 1 nm or less. In some implementations, a material of the catalyst layer at least partially extends into a region of the adhesion layer. In some implementations, the catalyst layer is characterized by a lattice strain imparted by the adhesion layer.

Abstract: The invention relates to a method for producing a supported catalyst material for a fuel-cell electrode, as well as a catalyst material that can be produced using said method. In the method, first, a carbide-forming substance is deposited from the gas phase onto the carbon-based carrier material to produce a carbide-containing layer and, then, a catalytically-active precious metal or an alloy thereof from the gas phase is deposited to form a catalytic layer. By chemical reaction of the carbide-forming substance with the carbon, very stable carbide bonds are formed at the interface, while an alloy phase of the two forms at the interface between carbide-forming substance and precious metal. Overall, a very stable adhesion of the catalytic precious metal to the substrate results, whereby degradation effects are reduced, and the life of the material is extended.

Abstract: A manufacturing process includes: depositing a first catalyst on a first gas diffusion layer (GDL) to form a first catalyst-coated GDL; depositing a first ionomer on the first catalyst-coated GDL to form a first gas diffusion electrode (GDE); depositing a second catalyst on a second GDL to form a second catalyst-coated GDL; depositing a second ionomer on the second catalyst-coated GDL to form a second GDE; and laminating the first GDE with the second GDE and with an electrolyte membrane disposed between the first GDE and the second GDE to form a membrane electrode assembly (MEA). A MEA includes a first GDL; a second GDL; an electrolyte membrane disposed between the first GDL and the second GDL; a first catalyst layer disposed between the first GDL and the electrolyte membrane; and a second catalyst layer disposed between the second GDL and the electrolyte membrane, wherein a thickness of the electrolyte membrane is about 15 ?m or less.

Abstract: A method for the production of an electrode for a fuel cell is provided that comprises providing a multitude of catalyst particles carried on at least one electrically conductive particle carrier, and depositing one or more atomic or molecular layers of an ionomer from the gas phase on the catalyst particles and/or the at least one particle carrier, thereby forming a proton-conducting ionomer coating. Furthermore, an electrode for a fuel cell is also provided.

Abstract: A manufacturing process includes: depositing a catalyst support on a gas diffusion layer to form a catalyst support-coated gas diffusion layer; depositing a catalyst on the catalyst support-coated gas diffusion layer to form a catalyst-coated gas diffusion layer; and depositing an ionomer on the catalyst-coated gas diffusion layer to form an ionomer-coated gas diffusion layer. A membrane electrode assembly for a fuel cell includes: a gas diffusion layer; a polymer electrolyte membrane; and a catalyst layer disposed between the gas diffusion layer and the polymer electrolyte membrane, wherein the catalyst layer includes an ionomer, and a concentration of the ionomer varies within the catalyst layer according to a concentration profile.

Abstract: A layered structure for a fuel cell comprises a carbon-based catalyst-free gas diffusion layer substrate and a carbon-based microporous layer, which is joined to the gas diffusion layer substrate and comprises a plurality of carbon carriers or carbon fibers embedded into an ion-conducting polymer binder mixture. The polymer binder mixture comprises a sulfur-free binding polymer and a sulfonated polymer, and a fraction of the binding polymer at or near a surface of the microporous layer facing away from the gas diffusion layer substrate is less than or equal to a fraction of the sulfonated polymer. A method for producing a layered structure of this type is also provided.

Abstract: A manufacturing process includes: depositing a first catalyst on a first gas diffusion layer (GDL) to form a first catalyst-coated GDL; depositing a first ionomer on the first catalyst-coated GDL to form a first gas diffusion electrode (GDE); depositing a second catalyst on a second GDL to form a second catalyst-coated GDL; depositing a second ionomer on the second catalyst-coated GDL to form a second GDE; and laminating the first GDE with the second GDE and with an electrolyte membrane disposed between the first GDE and the second GDE to form a membrane electrode assembly (MEA). A MEA includes a first GDL; a second GDL; an electrolyte membrane disposed between the first GDL and the second GDL; a first catalyst layer disposed between the first GDL and the electrolyte membrane; and a second catalyst layer disposed between the second GDL and the electrolyte membrane, wherein a thickness of the electrolyte membrane is about 15 ?m or less.

Abstract: A supported catalyst includes: (1) a catalyst support; and (2) deposits of a catalyst covering the catalyst support, wherein the deposits have an average thickness of about 2 nm or less, and the deposits are spaced apart from one another.

Abstract: The disclosure relates to a supported catalyst material for a fuel cell. This comprises an electrically conductive, carbon-based carrier material and catalytic structures deposited or grown on the carrier material with a multilayer structure. The core layer comprises an electrically conductive bulk material, with the bulk material in direct contact with the carbon-based carrier material. The thin surface layer has a catalytically active noble metal or an alloy thereof. The preparation is carried out directly onto the carrier material with the deposition of the corresponding starting materials from the gas phase.

Abstract: Approaches, techniques, and mechanisms are disclosed for predicting molecular electronic structural information. According to one embodiment, quantum simulation results are generated for a molecule based on a quantum simulation of an electronic structure of the molecule. The quantum simulation of the electronic structure of the molecule is performed with quantum processing units. An input vector comprising data field values derived from the quantum simulation results for the molecule is created. An electronic structural information prediction model is applied to generate, based at least in part on the input vector, predicted electronic structural information for the molecule.

Abstract: A catalyst structure includes: (1) a substrate; (2) a catalyst layer on the substrate; and (3) an adhesion layer disposed between the substrate and the catalyst layer. In some implementations, an average thickness of the adhesion layer is about 1 nm or less. In some implementations, a material of the catalyst layer at least partially extends into a region of the adhesion layer. In some implementations, the catalyst layer is characterized by a lattice strain imparted by the adhesion layer.

Abstract: An active material body for a rechargeable battery, whereby the active material body comprises at least one active material that has a Young's modulus EA and at least one layered first coating applied on the surface of the active material, whereby the coating consists of a first material that has a first Young's modulus E1 whereby the following applies: first Young's modulus?Young's modulus of the active material.

Abstract: A method includes (1) functionalizing a substrate to yield a functionalized substrate; and (2) depositing a catalyst on the functionalized substrate by atomic layer deposition to form a thin film of the catalyst covering the functionalized substrate.

Abstract: The invention relates to a method for producing a supported catalyst material for a fuel-cell electrode, as well as a catalyst material that can be produced using said method. In the method, first, a carbide-forming substance is deposited from the gas phase onto the carbon-based carrier material to produce a carbide-containing layer and, then, a catalytically-active precious metal or an alloy thereof from the gas phase is deposited to form a catalytic layer. By chemical reaction of the carbide-forming substance with the carbon, very stable carbide bonds are formed at the interface, while an alloy phase of the two forms at the interface between carbide-forming substance and precious metal. Overall, a very stable adhesion of the catalytic precious metal to the substrate results, whereby degradation effects are reduced, and the life of the material is extended.