Computing system for identification of solid-solid interphase products

Patent metadata

Field	Value
Publication number	US-10324138-B2
Application number	US-201615352400-A
Country	US
Kind code	B2
Filing date	Nov 15, 2016
Priority date	Nov 16, 2015
Publication date	Jun 18, 2019
Grant date	Jun 18, 2019

Abstract

Embodiments of a method, a system, and non-transitory computer readable storage media evaluating electrochemical qualities for interphase products. The disclosed embodiments perform a selection of a plurality of chemical phases for a solid electrolyte and at least one of the anode and cathode to be received. Thermodynamic data is received for the plurality of chemical phases. The retrieved thermodynamic data is received to evaluate a respective electrochemical quality for at least one of an interface between the solid electrolyte and the anode, and an interface between the solid electrolyte and the cathode.

First claim

What is claimed is:

1. A method, comprising:
at a device having one or more processors and memory storing instructions for execution by the one or more processors:
receiving a selection of a plurality of chemical phases for a solid electrolyte and at least one of an anode and cathode, wherein the solid electrolyte, the anode, and the cathode compose an electrochemical cell;
retrieving thermodynamic data for the plurality of chemical phases from a database; and
using the retrieved thermodynamic data to evaluate a respective electrochemical quality for at least one of an interface between the solid electrolyte and the anode, and an interface between the solid electrolyte and the cathode.

2. The method of claim 1 , wherein the electrochemical quality is a degree of thermodynamic stability, and using the retrieved thermodynamic data to evaluate the respective electrochemical quality comprises:
determining a mixing reaction energy for at least one of the interface between the solid electrolyte and the anode, and the interface between the solid electrolyte and the cathode, wherein the mixing reaction energy provides an indication of the degree of thermodynamic stability.

3. The method of claim 2 , wherein determining the mixing reaction energy comprises:
generating a phase diagram based on elements of the corresponding chemical phases of the interface or interfaces being evaluated;
based on the phase diagram, generating a grand potential phase diagram open to a selected element; and
using the phase diagram and/or the grand potential phase diagram to identify a stable combination of chemical phases corresponding to the composition of the mixture.

4. The method of claim 3 , wherein using the phase diagram to identify the stable combination comprises identifying in the phase diagram a tie line connecting the chemical phases of the stable combination.

5. The method of claim 3 , wherein the electrochemical quality is an ionic transport conductivity of a solid interphase compound product.

6. The method of claim 5 , wherein the conductivity is greater than about 0.001 mS/cm at room temperature.

7. The method of claim 2 , wherein determining the mixing reaction energy comprises determining respective mixing reaction energies for multiple combinations of chemical phases, the multiple combinations formed based on elements of the selected plurality of chemical phases, the method further comprising:
identifying a first combination from the multiple combinations of chemical phases that satisfies a thermodynamic stability criterion.

8. The method of claim 1 , wherein the plurality of chemical phases includes an alkali element.

9. The method of claim 8 , wherein the alkali element is selected from the group consisting of lithium and sodium.

10. The method of claim 1 , further comprising:
calculating respective stability ranges for a plurality of candidate phases for a solid electrolyte; and

based on the calculated stability ranges, identifying, from the plurality of candidate phases, a chemical phase whose calculated stability range satisfies a predefined criterion, wherein the selected chemical phase corresponds to the identified chemical phase.

11. The method of claim 1 , wherein the solid electrolyte is a coated electrolyte, the anode is a coated anode, and the cathode is a coated cathode.

12. A system, comprising:
a processor; and
memory for storing one or more programs for execution by the processor, the one or more programs including instructions for:
receiving a selection of a plurality of chemical phases for a solid electrolyte and at least one of an anode and cathode, wherein the solid electrolyte, the anode, and the cathode compose an electrochemical cell;
retrieving thermodynamic data for the plurality of chemical phases from a database; and
using the retrieved thermodynamic data to evaluate a respective electrochemical quality for at least one of an interface between the solid electrolyte and the anode, and an interface between the solid electrolyte and the cathode.

13. A non-transitory computer readable storage medium storing one or more programs for execution by one or more processors, the one or more programs including instructions for:
receiving a selection of a plurality of chemical phases for a solid electrolyte and at least one of an anode and cathode, wherein the solid electrolyte, the anode, and the cathode compose an electrochemical cell;
retrieving thermodynamic data for the plurality of chemical phases from a database; and
using the retrieved thermodynamic data to evaluate a respective electrochemical quality for at least one of an interface between the solid electrolyte and the anode, and an interface between the solid electrolyte and the cathode.

Assignees

• Samsung Electronics Co Ltd
• Massachusetts Inst Technology
• Massachusettes Institute Of Tech

Inventors

• Richards William D
• Miara Lincoln J
• Wang Yan E
• Kim Jae Chul
• Ceder Gerbrand

Classifications

• H01M10/0525

  Rocking-chair batteries, i.e. batteries with lithium insertion or intercalation in both electrodes; Lithium-ion batteries · CPC title

• H01M10/0562 Primary

  Solid materials · CPC title

• G01R31/367 Primary

  Software therefor, e.g. for battery testing using modelling or look-up tables · CPC title

• H01M10/4285

  Testing apparatus · CPC title

• Y02P70/50

  Manufacturing or production processes characterised by the final manufactured product · CPC title