Cage-like P4S3 molecule as promising anode with high capacity and cycling stability for Li+/Na+/K+ storage

Abstract Phosphorus sulfide cage molecule based on P4S3 was investigated for the first time as anode material for the storage of alkali metal ions (Li+, Na+, K+). Such P4S3 sample was obtained in a large scale by a simple heating reaction of low-cost rep P and S. X-ray diffraction refinement analysis indicates that P4S3 sample possesses a defect rich molecule crystal structure with S/P atom ratio of 0.74. The P4S3 anode delivered a high reversible capacity of 1266 mAh g−1 for lithium-ion batteries at 0.1 A g−1 and good cycling performance. Experimental results demonstrated that the P4S3 anode undergoes a reversible Li-storage reaction of P4S3 + 11 Li+ + 11 e− ↔ 0.5 Li4P2S6 + 3 Li3P during cycling. It also exhibited a high capacity of 1002 and 378 mAh g−1 at 0.1 A g−1 for Na+ and K+ storage, respectively. These properties suggest the promising application of P4S3 anode in high energy batteries.