Theoretical simulations demonstrate enhanced luminescence in glassy ZIF-62, suggesting structural changes impact emission.
We reported that ZIF-62 glass exhibits enhanced luminescence upon glass transition, contrasting with the crystalline phase fluorescence quenching caused by ordered ligand arrangement. Theoretical simulations combining ab initio molecular dynamics and quantum mechanical calculations reveal specific configurations in the glassy state with intensified emission, which are corroborated by experiments.
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Yu et al. (2025) studied this question.
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