The Entropic Role of Vacancy Defects in Governing Glass Formation within Zeolitic Imidazolate Frameworks

Key Points

• The aim is to clarify the atomic-scale mechanisms through which vacancy defects affect glass formation in Zeolitic Imidazolate Frameworks.
• Analyzed the structural characteristics of Zeolitic Imidazolate Frameworks.
• Investigated the role of vacancy defects at the atomic level.
• Utilized computational modeling to predict glass formation behaviors.
• Vacancy defects were shown to significantly alter the glass transition temperature.
• Increased vacancy concentration led to quicker glassy formation rates.
• Demonstrated a clear correlation between vacancy density and the stability of the glassy state.