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Strengthening Sn-MOF with SiO 2 /GeO 2 Nanoparticles for Synergistically Enhanced High Capacity and Cycle Stability.

Qiwei WangWeizhao LingWei RanJianfang ChenYi-Ming ZhaoZhengyan LiuGao ChengLin YuLei ShenQiang Wang
Published in: Langmuir : the ACS journal of surfaces and colloids (2024)
Metal-organic frameworks (MOFs) based on tin (Sn) have shown great potential as materials for lithium storage, thanks to their ability to alleviate volume expansion due to the homogeneous distribution of Sn in a porous matrix framework. However, the weak mechanical strength of the porous Sn-MOF structure has been a major challenge, leading to pulverization during the discharging/charging process. To overcome this issue, we have developed a feasible strategy to strengthen the Sn-MOF mechanical properties by incorporating SiO 2 /GeO 2 nanoparticles during the synthesis process. The resulting composites of Sn-Si and Sn-Ge exhibited high energy density and long-term cycle stability, thanks to their synergistic effect in alloying and conversion reactions. Our density functional theory (DFT) calculations have revealed that the rigid SiO 2 /GeO 2 nanoparticles enhance the Sn-MOF mechanical properties, including Young's and shear moduli, which contribute to the long-term cycle stability of these composites.
Keyphrases
  • metal organic framework
  • density functional theory
  • molecular docking
  • molecular dynamics simulations
  • room temperature
  • aqueous solution