Simulations estimate hydrolysis free-energy barriers for seven Zn-MOFs, showing ZIFs resist water better than IRMOFs and linking barrier height to linker carbon-to-oxygen ratio.
The optimized lattice parameters are compared with the experimental data in Table 1
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Stability by Design: Atomistic Insights into Hydrolysis-Driven MOF Degradation
Simulations estimate hydrolysis free-energy barriers for seven Zn-MOFs, showing ZIFs resist water better than IRMOFs and linking barrier height to linker carbon-to-oxygen ratio.