Materials Today Chemistry ( IF 6.7 ) Pub Date : 2023-08-03 , DOI: 10.1016/j.mtchem.2023.101648
C.-H. Sun , X.-Q. Li , T.-M. Zhu , H.-Y. Yu , Y.-M. Liang , Y.-H. Sun , J.-M. Nan
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SnS is a promising anode material for sodium-ion batteries (SIBs) due to its high theoretical specific capacity, but the poor intrinsic conductivity, bulk expansion and shuttle effects brought by polysulfides seriously limit its practical use. Here, soft/rigid SnS&TiS2 compounds with carbon nanotubes (ST@CNTs) is designed to overcome the shortcomings. The rigid TiS2, as the strong backbone of SnS&TiS2, relieves the expansion stress caused by SnS after sodiation, together with CNTs improve the materials conductivity. TiS2 generates many sulfur defects under the synergistic effect of SnS, which can regulate the sodium-ion embedding sites to stabilize the compound structure and decrease the sodium-ion diffusion energy barrier. Moreover, rigid TiS2 can adsorb polysulfides induced by SnS, thus suppresses the shuttle effect and improves the cycling and rate performances. Fortunately, the above conclusions are confirmed by the DFT calculations. The ST@CNTs provide a specific capacity of 550 mAh/g at 1.0 A/g after 300 cycles, and a high-rate capability of 443 mAh/g at 2.0 A/g. This soft/rigid misfit strategy combines the advantages of high modulus of rigid layers and high sodium-ion storage capacity of soft layers, which gives an idea for the development of new anode candidates for SIBs.
中文翻译:

碳纳米管软/硬SnS&TiS2化合物作为高性能钠离子电池异质结构负极材料
SnS因其较高的理论比容量而成为一种很有前景的钠离子电池(SIBs)负极材料,但多硫化物带来的较差的本征电导率、体积膨胀和穿梭效应严重限制了其实际应用。在这里,软/硬 SnS&TiS 2与碳纳米管的化合物 (ST@CNTs) 被设计来克服这些缺点。刚性的TiS 2作为SnS&TiS 2的强骨架,缓解了钠化后SnS引起的膨胀应力,与CNT一起提高了材料的导电性。硫化钛2在SnS的协同作用下产生许多硫缺陷,可以调节钠离子嵌入位点以稳定化合物结构并降低钠离子扩散能垒。此外,刚性TiS 2可以吸附SnS诱导的多硫化物,从而抑制穿梭效应,改善循环和倍率性能。幸运的是,上述结论得到了DFT计算的证实。ST@CNT在300次循环后在1.0 A/g下提供550 mAh/g的比容量,在2.0 A/g下提供443 mAh/g的高倍率容量。这种软/刚性错配策略结合了刚性层高模量和软层高钠离子存储容量的优点,为开发新型SIB阳极候选材料提供了思路。