Dynamic acidity in defective UiO-66
Keyword(s):
The metal–organic framework (MOF) material UiO-66 has emerged as one of the most promising MOF materials due to its thermal and chemical stability and its potential for catalytic applications. We refine a recent experimental determination of the missing linker defect structure using static and dynamic first principles approaches, which reveals a dynamic and labile acid centre that could be tailored for functional applications in catalysis.
2018 ◽
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pp. 1193-1198
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