Owing to complexity of the algorithms and tools very few attempts have been seen for usage of simulation methods in the development of new electrolytes. Moreover, the existing simulation methods focus on only one aspect of the electrolyte at a time and this limits accuracy of simulation results, and affects performance of electrolyte in real world, where multiple factors come into play simultaneously. The method disclosed provides method and system for in-silico optimization and design of electrolytes, enabling prediction of various properties of an electrolytic mixture of salts, solvents and various additives and its suitability for a given battery technology. The in-silico method shapes itself into an overall battery electrolyte property or component composition analyzer based on the user input.

Owing to complexity of the algorithms and tools very few attempts have been seen for usage of simulation methods in the development of new electrolytes. Moreover, the existing simulation methods focus on only one aspect of the electrolyte at a time and this limits accuracy of simulation results, and affects performance of electrolyte in real world, where multiple factors come into play simultaneously. The method disclosed provides method and system for in-silico optimization and design of electrolytes, enabling prediction of various properties of an electrolytic mixture of salts, solvents and various additives and its suitability for a given battery technology. The in-silico method shapes itself into an overall battery electrolyte property or component composition analyzer based on the user input.

The present disclosure relates to a nano-engineered coating for cathode active materials, anode active materials, and solid state electrolyte materials for reducing corrosion and enhancing cycle life of a battery, and processes for applying the disclosed coating. Also disclosed is a solid state battery including a solid electrolyte layer having a solid electrolyte particle coated by a protective coating with a thickness of 100 nm or less. The protective coating is obtained by atomic layer deposition (ALD) or molecular layer deposition (MLD). Further disclosed is a solid electrolyte layer for a solid state battery, including a porous scaffold coated by a first, solid electrolyte coating. The solid electrolyte coating has a thickness of 60 μm or less and a weight loading of at least 20 wt. % (or preferable at least 40 wt. % or at least 50 wt. %). Further disclosed is a cathode composite layer for a solid state battery.

The present disclosure relates to a nano-engineered coating for cathode active materials, anode active materials, and solid state electrolyte materials for reducing corrosion and enhancing cycle life of a battery, and processes for applying the disclosed coating. Also disclosed is a solid state battery including a solid electrolyte layer having a solid electrolyte particle coated by a protective coating with a thickness of 100 nm or less. The protective coating is obtained by atomic layer deposition (ALD) or molecular layer deposition (MLD). Further disclosed is a solid electrolyte layer for a solid state battery, including a porous scaffold coated by a first, solid electrolyte coating. The solid electrolyte coating has a thickness of 60 μm or less and a weight loading of at least 20 wt. % (or preferable at least 40 wt. % or at least 50 wt. %). Further disclosed is a cathode composite layer for a solid state battery.

The present disclosure relates to a single-ion solid electrolyte and its method of preparation. More particularly, the present disclosure relates to a single-ion conducting polymer solid electrolyte containing a network polymer, inorganic nanoparticles, and an electrolyte, wherein the network polymer contains a structural unit containing a cationic group, and its method of preparation.

High energy density and long cycle life all solid-state electrolyte lithium-ion batteries use ceramic-polymer composite anodes which include a polymer matrix with ceramic nanoparticles, silicon-based anode active materials, conducting agents, lithium salts and plasticizer distributed in the matrix. The silicon-based anode active material are anode active particles formed by high energy milling a mixture of silicon, graphite, and metallic and/or non-metallic oxides. A polymer coating is applied to the particles. The networking structure of the electrolyte establishes an effective lithium-ion transport pathway in the electrode and strengthens the contact between the electrode layer and solid-state electrolyte resulting in higher lithium-ion battery cell cycling stability and long battery life.

High energy density and long cycle life all solid-state electrolyte lithium-ion batteries use ceramic-polymer composite anodes which include a polymer matrix with ceramic nanoparticles, silicon-based anode active materials, conducting agents, lithium salts and plasticizer distributed in the matrix. The silicon-based anode active material are anode active particles formed by high energy milling a mixture of silicon, graphite, and metallic and/or non-metallic oxides. A polymer coating is applied to the particles. The networking structure of the electrolyte establishes an effective lithium-ion transport pathway in the electrode and strengthens the contact between the electrode layer and solid-state electrolyte resulting in higher lithium-ion battery cell cycling stability and long battery life.

A lithium secondary battery includes: a cathode, an anode; and an electrolyte between the cathode and the anode, wherein the cathode includes a cathode active material represented by Formula 1 below, and the electrolyte includes a lithium salt, a non-aqueous solvent, and a compound represented by Formula 2, where x, y, z, M, A, L.sub.1, a1, and R.sub.1 to R.sub.4 are defined as described in the disclosure. ##STR00001##

An EB-PVD technique was used to fabricate ceramic/polymer/ceramic (LAGP/PE/LAGP) hybrid separator for rechargeable LIBs and Li batteries. The application of a ceramic electrolyte (LAGP) layer on traditional PE separator soaked in 1-M LiAsF.sub.6 liquid electrolyte combined the best attributes of traditional PE separator and solid inorganic electrolytes. The synergistic behavior of hybrid separator resulted in a high mechanical stability/flexibility, increased liquid uptake, high ion conduction, reduced cell voltage polarization, no lithium dendrite formation, and increased usable lithium content as compared to the state-of-the-art PE separator used in LIBs. The functional separator can be used to prolong life cycle and power capability of present LIBs. Thickness and density optimization of LAGP or similar electrolytes on polymer or other battery separators and their use in full Li battery (LIB, Li—S, Li—O.sub.2, Li—Ph, flow battery) cells are expected to further improve performance.

An EB-PVD technique was used to fabricate ceramic/polymer/ceramic (LAGP/PE/LAGP) hybrid separator for rechargeable LIBs and Li batteries. The application of a ceramic electrolyte (LAGP) layer on traditional PE separator soaked in 1-M LiAsF.sub.6 liquid electrolyte combined the best attributes of traditional PE separator and solid inorganic electrolytes. The synergistic behavior of hybrid separator resulted in a high mechanical stability/flexibility, increased liquid uptake, high ion conduction, reduced cell voltage polarization, no lithium dendrite formation, and increased usable lithium content as compared to the state-of-the-art PE separator used in LIBs. The functional separator can be used to prolong life cycle and power capability of present LIBs. Thickness and density optimization of LAGP or similar electrolytes on polymer or other battery separators and their use in full Li battery (LIB, Li—S, Li—O.sub.2, Li—Ph, flow battery) cells are expected to further improve performance.