Li-ion battery capacity and voltage prediction using quantum simulations
US10177398B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Nov 23, 2010 |
| Grant date | Jan 8, 2019 |
| Priority date | — |
| Expiry date | Jan 16, 2032 |
Classification
- Technology area (CPC Y)Emerging Cross-Sectional Technologies
- CPC primaryY02E60/10
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
Provided are methods and computer programs for predicting lithium battery properties. One method includes operations for selecting candidate structures for the battery, and for obtaining a plurality of delithiated structures of the candidate structures with different lithium concentrations. The quantum mechanical (QM) energies of the delithiated structures are calculated, and a functional form is developed to obtain the voltage of the lithium battery. The functional form is a function of the lithium concentration and is based on the QM energies of the delithiated structures. Further, the capacity of the lithium battery is calculated based on a selected lithium concentration, where the functional form returns a cut-off voltage of the lithium battery when the lithium concentration is equal to the selected lithium concentration.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.