Computer-aided materials design of La-rich MH electrode materials

A partial least square–back propagation network (PLS–BPN) method is applied to the materials design of hydrogen storage alloys and property prediction of metal hydride (MH) electrodes. Two samples of hydrogen storage alloys designed from an optimal region of the PLS sub-space have been prepared and the predicted target values have been verified by experiment. Some properties of MH electrodes: initial capacity, capacity ratio and discharge curve predicted by the method are in agreement with experimental results.