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Creating High-Number Defect Sites through a Bimetal Approach in Metal-Organic Frameworks for Boosting Trace SO 2 Removal.

Hui Ping ZhangQing Yun ZhangXue Feng FengRajamani KrishnaFeng Luo
Published in: Inorganic chemistry (2022)
Herein, we represent a bimetallic approach to enhance the defect number, leading to eight defect sites per node in a metal-organic framework, showing both a higher SO 2 adsorption capacity and higher SO 2 /CO 2 selectivity. The results can be further strongly supported by density functional theory calculations.
Keyphrases
  • metal organic framework
  • density functional theory
  • molecular dynamics
  • lymph node
  • heavy metals
  • monte carlo