Effect of silicon doping on the electrochemical properties of MoP2 nano-cluster anode for lithium ion batteries

Mo0.8Si0.2P2 was synthesized via a simple mechanical milling method to improve the electrochemical properties of MoP2. It was found that Si ion was successfully doped and well dispersed on pristine MoP2 layered structure without any structure changes. The electrochemical properties of Mo0.8Si0.2P2 anode were increasingly improved. It showed a higher initial charge capacity of 783 mA h g−1 and better cycle retention rate of 93.2% compared with the MoP2 alloy anode, respectively. When lithium uptake in Mo0.8Si0.2P2 anode during the first discharge process, silicon was partially decomposed and well dispersed in sustained Mo0.8Si0.2P2 structure. Partially decomposed Si in Mo0.8Si0.2P2 act as electrochemically alloying material for increasing the reversible capacity, whereas sustained Mo0.8Si0.2P2 serve as host material with lithium intercalation reaction and prevent to aggregation of decomposed silicon.