Journal Article10.1039/d3dd00236e
Machine Learning Interatomic Potentials for Amorphous Zeolitic Imidazolate Frameworks
Nicolas Castel,Dune André,Connor Edwards,Jack D. Evans,François-Xavier Coudert +4 more
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TL;DR: The microscopic structure of amorphous metal-organic frameworks is difficult to characterize.
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Abstract: The detailed understanding of the microscopic structure of amorphous phases of metal-organic frameworks (MOFs) remains a widely open question: characterization of these systems is very difficult, both from the experimental...
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Citations
Synthetic and analytical considerations for the preparation of amorphous metal-organic frameworks
Thomas D. Bennett,Emily Shaw,Ashleigh M. Chester,Georgina Robertson,Celia Castillo Blas +4 more
TL;DR: The preparation of amorphous metal-organic frameworks involves synthetic and analytical considerations, highlighting the unique properties of these materials.
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Structural Origin of the Deformation Propensity of Zeolitic Imidazolate Framework Glasses
Tianyu Du,Xuan Ge,Fengming Cao,Han Liu,Caijuan Shi,Junwei Ding,Dihua Sun,Qiangqiang Zhang,Yuanzheng Yue,Morten M. Smedskjær +9 more
TL;DR: The deformation propensity of zeolitic imidazolate framework glasses is influenced by the structural evolution of the glass upon deformation, which is controlled by the initial atomic volume and the mobility of Zn ions.
1
Phase diagram of ZIF-4 from computer simulations
Emilio García Méndez,Rocío Semino +1 more
TL;DR: Well-tempered metadynamics simulations are used to investigate the phase diagram of ZIF-4, a porous metal-organic framework, providing insights into its thermodynamic behavior and structural properties through computational modeling.
When can we trust structural models derived from pair distribution function measurements?
Phillip M. Maffettone,W. W. Fletcher,Thomas C. Nicholas,Volker L. Deringer,Jane R. Allison,Lorna J. Smith,Andrew L. Goodwin +6 more
TL;DR: When can we trust structural models derived from pair distribution function measurements? The answer is not provided in this text, therefore I cannot complete the TLDR.
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