公开(公告)号：US10127342B2

公开(公告)日：2018-11-13

申请号：US15093763

申请日：2016-04-08

Applicant: Nano and Advanced Materials Institute Limited

Inventor： Jianzhuo Xin ,  Wing Yu Chau ,  Yingkai Jiang ,  Yeming Xu ,  Kwok Keung Ho

IPC: G06G7/54 ,  G06F17/50 ,  H01M4/04 ,  H01M4/131 ,  H01M4/1391 ,  H01M4/38 ,  H01M4/505 ,  H01M4/525 ,  H01M4/62 ,  H01M4/66 ,  H01M10/0525 ,  H01M10/0568 ,  H01M10/0569 ,  H01M10/0585 ,  H01M4/02

Abstract: A method of designing and modifying electrode materials for a battery device is disclosed in this invention. The method includes constructing a first principle model for battery electrode material properties estimation and screening. The method also includes applying a structural and compositional modification on the first principle model. In some embodiments, the method includes developing a hybrid physical model to estimate the battery cell cycling behavior with the calculated and experimental parameters. The method and the simulation models have the advantage that both atomic level and physical structure will be considered for the battery electrode and its modified derivatives with small compositional or structural changes. Therefore, both the time consumption and accuracy for battery electrode material designing and modification for specific application requirements can be improved.