Abstract: The present disclosure is directed to processes for the preparation of argyrodite type materials, use of such argyrodite type materials in synthesis of solid-state electrolytes, and inclusion in secondary rechargeable batteries such as lithium ion batteries (LIBs), solid state batteries (SSBs), and/or lithium metal batteries (LMBs). For example, in an aspect the present disclosure provides a process that includes contacting a lithium source with a phosphorus source in a solvent-reagent at a temperature from about 80° C. to about 120° C. to form a precipitate comprising the Li7-xPS6-xYx (where Y is Cl, Br, or I, and 0<x<2) and a supernate, and then collecting the precipitate. The solvent-reagent includes SyYw where y?1, Y is as discussed previously (Y is Cl, Br, or I), and 0<w?2.

Abstract: An electrode active material includes a dopant (M2) and a lithium manganese iron phosphate host material represented as LiM2xMnyFe1-x-yPO4, wherein the dopant is a transition metal or main group metal, and the electrode active material exhibits an increased ionic conductivity compared to a lithium manganese iron phosphate (LiMnyFe1-yPO4) without the dopant, wherein x is 0.01 to 0.15, and y is 0.30 to 0.85.

Abstract: An electrochemical cell includes a solid-state electrolyte; an anode; and a lithium polyanionic oxide; wherein the lithium polyanionic oxide is at least partially deposited on a surface of the anode.

Abstract: A cathode active material comprising: a nickel-rich lithium transition metal oxide; a first coating material on a surface of the nickel-rich lithium transition metal oxide; and a second coating material comprising a lithium metal oxide; wherein the second coating material overcoats the first coating material, fills in voids of the first coating material on the surface of the nickel-rich lithium transition metal oxide, or both overcoats the first coating material and fills in voids of the first coating material on the surface of the nickel-rich lithium transition metal oxide, and the second coating material is different from the first coating material and the nickel-rich lithium transition metal oxide.

Abstract: An electrochemical cell includes a solid-state electrolyte, an anode, and an interfacial layer between the solid-state electrolyte and the anode, wherein the interfacial layer includes a lithium metal sulfide.

Abstract: A calcium ruthenate composition of matter includes a compound of calcium, ruthenium and oxygen with a chemical formula of CaaRubOc and with ‘a’ greater than or equal to 2.75 and less than or equal to 3.25, ‘b’ greater than or equal to 0.75 and less than or equal to 1.25, and ‘c’ greater than or equal to 5.75 and less than or equal to 6.25. The CaaRubOc is an oxygen evolution reaction catalyst, an oxygen reduction reaction catalyst, and/or a catalyst for the hydrolysis of a hydrogen containing compound.

Abstract: One aspect of the disclosure relates to systems and methods for determining probabilities of successful synthesis of materials in the real world at one or more points in time. The probabilities of successful synthesis of materials in the real world at one or more points in time can be determined by representing the materials and their pre-defined relationships respectively as nodes and edges in a network form, and computation of the parameters of the nodes in the network as input to a classification model for successful synthesis. The classification model being configured to determine probabilities of successful synthesis of materials in the real world at one or more points in time.

Abstract: A synthesis machine for preparation of a targeted inorganic material for recommended synthesis by a computer program that determines optimal solid-state methods for synthesis of an inorganic material. The computational method involves inputting a target inorganic material, querying structural data and thermodynamic data for the target inorganic material, enumerating possible synthetic reactions to construct a synthetic reaction database with a viable subset of the possible synthetic methods. The routine generates a nucleation metric and competition metric that are combined to provide recommended synthetic methods. The output for each of the recommended syntheses are input into a robotic synthesis machine where the delivery of reactants, reaction conditions, and analysis of extent of reaction, and product quality is controlled by a processor.

Abstract: Methods are provided for tailoring multi-step chemical reactions having competing elementary steps using a strained catalyst. In various aspects, a layered piezo-catalytic system is provided, and may include a metal catalyst overlayer disposed on a piezo-electric substrate. The methods include applying a voltage bias to the piezo-electric substrate of the piezo-catalytic system resulting in a strained catalyst having an altered catalytic activity as a result of one or both of a compressive stress and tensile stress. The methods include exposing reagents for at least one step of the multi-step chemical reaction to the strained catalyst, and catalyzing the at least one step of the multi-step chemical reaction. In various aspects, the methods may include using an oscillating voltage bias applied to the piezo-electric substrate.

Abstract: One aspect of the disclosure relates to systems and methods for determining probabilities of successful synthesis of materials in the real world at one or more points in time. The probabilities of successful synthesis of materials in the real world at one or more points in time can be determined by representing the materials and their pre-defined relationships respectively as nodes and edges in a network form, and computation of the parameters of the nodes in the network as input to a classification model for successful synthesis. The classification model being configured to determine probabilities of successful synthesis of materials in the real world at one or more points in time.

Abstract: Systems, methods, and storage media for generating a predicted discharge profile of a vehicle battery pack are disclosed. A method includes receiving, by a processing device, data pertaining to cells within a battery pack installed in each vehicle of a fleet of vehicles operating under a plurality of conditions, the data received from at least one of each vehicle in the fleet of vehicles, providing, by the processing device, the data to a machine learning server, directing, by the processing device, the machine learning server to generate a predictive model, the predictive model based on machine learning of the data, generating, by the processing device, the predicted discharge profile of the vehicle battery pack from the predictive model, and providing the discharge profile to an external device.

Abstract: A computer system and computational method for determining optimal solid-state methods for synthesis of an inorganic material that results in an output of recommended synthetic methods that can be implemented based on the recommendation. The method involves inputting a target inorganic material, querying structural data and thermodynamic data for the target inorganic material and reactant inorganic materials that can be used for its synthesis, enumerating possible synthetic reactions to construct a synthesis reaction database with a viable subset of the possible synthetic methods. The program generates a nucleation barrier metric and a competition metric that are combined to provide a recommendation of the synthetic procedures to the target inorganic material.

Abstract: In one embodiment, a vehicle battery diagnostics system forecasts a future state for a battery by monitoring, over a period of time, one or more of voltage, current or temperature signals from at least one battery of the vehicle, storing information from the voltage, current or temperature signals as time-series data, obtaining a forecasting model from a server, the forecasting model indicating at least one shapelet feature that corresponds to a forecast categorization, identifying, in the time-series data, a shapelet that matches the at least one shapelet feature to a degree exceeding a predetermined similarity threshold, and providing a notification indicating the forecast categorization.

Abstract: Material selection processes can be simulated to determine an optimal material selection process. In iterations: (1) a process selection module can select a material selection module, (2) a machine learning process can be configured to execute the material selection module, (3) the material selection module can: (a) select information about materials having known values of a material property and (b) train the machine learning process to produce the known values in response to a receipt of the information about the materials, and (4) a measure of a performance of the material selection module can be determined with respect to identifying a set of materials that includes the materials for which the known values are in a specific relationship with a threshold criterion for the material property. At a completion of the iterations and based on measures of performances of material selection modules, the optimal material selection process can be determined.

Abstract: Systems, methods, and storage media for determining a target charging level of a battery pack for a drive route are disclosed. A method includes receiving data pertaining to cells within a battery pack installed in each vehicle of a fleet of vehicles, the data received from at least one of each vehicle in the fleet of vehicles, providing the data to a machine learning server, directing the machine learning server to generate a predictive model, the predictive model based on machine learning of the data, receiving a vehicle route request from the vehicle, the vehicle route request corresponding to the drive route, estimating travel conditions of the vehicle based on the route request, determining a temperature of the battery pack in the vehicle, determining a target battery charging level based on the predictive model, the travel conditions, and the temperature, and providing the target battery charging level to the vehicle.

Abstract: In one embodiment, a vehicle battery diagnostics system forecasts a future state for a battery by monitoring, over a period of time, one or more of voltage, current or temperature signals from at least one battery of the vehicle, storing information from the voltage, current or temperature signals as time-series data, obtaining a forecasting model from a server, the forecasting model indicating at least one shapelet feature that corresponds to a forecast categorization, identifying, in the time-series data, a shapelet that matches the at least one shapelet feature to a degree exceeding a predetermined similarity threshold, and providing a notification indicating the forecast categorization.

Abstract: Compositions and processes for optimizing oxygen reduction and oxygen evolution reactions are provided. Oxygen reduction and oxygen evolution catalysts include oxide compositions having a general formula a formula A2-xMOy, where x is electrochemically tuned to find optimal A content that delivers the best catalytic performance in a chemical system. The process provides the ability to find the optimal catalytic performance by tuning A and hence, the binding strength of O.

Abstract: A synthesis machine for preparation of a targeted inorganic material for recommended synthesis by a computer program that determines optimal solid-state methods for synthesis of an inorganic material. The computational method involves inputting a target inorganic material, querying structural data and thermodynamic data for the target inorganic material, enumerating possible synthetic reactions to construct a synthetic reaction database with a viable subset of the possible synthetic methods. The routine generates a nucleation metric and competition metric that are combined to provide recommended synthetic methods. The output for each of the recommended syntheses are input into a robotic synthesis machine where the delivery of reactants, reaction conditions, and analysis of extent of reaction, and product quality is controlled by a processor.

Abstract: A computer system and computational method for determining optimal solid-state methods for synthesis of an inorganic material that results in an output of recommended synthetic methods that can be implemented based on the recommendation. The method involves inputting a target inorganic material, querying structural data and thermodynamic data for the target inorganic material and reactant inorganic materials that can be used for its synthesis, enumerating possible synthetic reactions to construct a synthesis reaction database with a viable subset of the possible synthetic methods. The program generates a nucleation barrier metric and a competition metric that are combined to provide a recommendation of the synthetic procedures to the target inorganic material.

Abstract: A battery protection system that attenuates the impact of a thermal event above 100° C. in the environment of a battery includes at least one inorganic phase change material (IPCM). The IPCM undergoes a solid-solid or solid-liquid phase change at temperatures in excess of 100° C. and with a heat absorption of at least 50 kJ/kg. The IPCM is an anhydrous inorganic salt or compound that absorbs heat by a phase change from one solid phase to a second solid phase or to a liquid phase. A battery-package is formed that includes the battery protection system on or within the battery-can. The battery-package can have the IPCM within a composite, and the composite can include a thermally conductive filler. The battery protection system can have a series of heat absorbing IPCMs that absorb heat at a series of ascending temperatures.