Metal–organic network-forming glasses

N Ma, S Horike - Chemical Reviews, 2022 - ACS Publications
The crystal–liquid–glass phase transition of coordination polymers (CPs) and metal–organic
frameworks (MOFs) offers attractive opportunities as a new class of amorphous materials …

Electronic structure modeling of metal–organic frameworks

JL Mancuso, AM Mroz, KN Le, CH Hendon - Chemical reviews, 2020 - ACS Publications
Owing to their molecular building blocks, yet highly crystalline nature, metal–organic
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …

Beyond the average: spatial and temporal fluctuations in oxide glass-forming systems

KA Kirchner, DR Cassar, ED Zanotto, M Ono… - Chemical …, 2022 - ACS Publications
Atomic structure dictates the performance of all materials systems; the characteristic of
disordered materials is the significance of spatial and temporal fluctuations on composition …

Fracture toughness of a metal–organic framework glass

T To, SS Sørensen, M Stepniewska, A Qiao… - Nature …, 2020 - nature.com
Metal-organic framework glasses feature unique thermal, structural, and chemical properties
compared to traditional metallic, organic, and oxide glasses. So far, there is a lack of …

Sub-micrometer phonon mean free paths in metal–organic frameworks revealed by machine learning molecular dynamics simulations

P Ying, T Liang, K Xu, J Zhang, J Xu… - ACS Applied Materials …, 2023 - ACS Publications
Metal–organic frameworks (MOFs) are a family of materials that have high porosity and
structural tunability and hold great potential in various applications, many of which require a …

Mixed hierarchical local structure in a disordered metal–organic framework

AF Sapnik, I Bechis, SM Collins, DN Johnstone… - Nature …, 2021 - nature.com
Amorphous metal–organic frameworks (MOFs) are an emerging class of materials.
However, their structural characterisation represents a significant challenge. Fe-BTC, and …

Modeling the Effect of Defects and Disorder in Amorphous Metal–Organic Frameworks

I Bechis, AF Sapnik, A Tarzia, EH Wolpert… - Chemistry of …, 2022 - ACS Publications
Amorphous metal–organic frameworks (a MOFs) are a class of disordered framework
materials with a defined local order given by the connectivity between inorganic nodes and …

Machine learning interatomic potentials for amorphous zeolitic imidazolate frameworks

N Castel, D André, C Edwards, JD Evans… - Digital …, 2024 - pubs.rsc.org
The detailed understanding of the microscopic structure of amorphous phases of metal–
organic frameworks (MOFs) remains a widely open question: characterization of these …

ResponZIF structures: zeolitic imidazolate frameworks as stimuli-responsive materials

P Iacomi, G Maurin - ACS Applied Materials & Interfaces, 2021 - ACS Publications
Zeolitic imidazolate frameworks (ZIFs) have long been recognized as a prominent subset of
the metal–organic framework (MOF) family, in part because of their ease of synthesis and …

Molecular interactions and layer stacking dictate covalent organic framework effective pore size

PHH Duong, YK Shin, VA Kuehl, MM Afroz… - … Applied Materials & …, 2021 - ACS Publications
Interactions among ions, molecules, and confining solid surfaces are universally challenging
and intriguing topics. Lacking a molecular-level understanding of such interactions in …