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 …

Chemical, thermal and mechanical stabilities of metal–organic frameworks

AJ Howarth, Y Liu, P Li, Z Li, TC Wang… - Nature Reviews …, 2016 - nature.com
The construction of thousands of well-defined, porous, metal–organic framework (MOF)
structures, spanning a broad range of topologies and an even broader range of pore sizes …

Air-stable Cu (I) metal–organic framework for hydrogen storage

D Sengupta, P Melix, S Bose, J Duncan… - Journal of the …, 2023 - ACS Publications
Metal–organic frameworks (MOFs) that contain open metal sites have the potential for
storing hydrogen (H2) at ambient temperatures. In particular, Cu (I)-based MOFs …

ELATE: an open-source online application for analysis and visualization of elastic tensors

R Gaillac, P Pullumbi, FX Coudert - Journal of Physics …, 2016 - iopscience.iop.org
We report on the implementation of a tool for the analysis of second-order elastic stiffness
tensors, provided with both an open-source Python module and a standalone online …

Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers

H Wang, X Dong, J Lin, SJ Teat, S Jensen… - Nature …, 2018 - nature.com
As an alternative technology to energy intensive distillations, adsorptive separation by
porous solids offers lower energy cost and higher efficiency. Herein we report a topology …

Flexible metal–organic frameworks: recent advances and potential applications

Z Chang, DH Yang, J Xu, TL Hu, XH Bu - Advanced Materials, 2015 - Wiley Online Library
Flexible metal–organic frameworks (MOFs) receive much attention owing to their attractive
properties that originate from their flexibility and dynamic behavior, and show great potential …

Correlated defect nanoregions in a metal–organic framework

MJ Cliffe, W Wan, X Zou, PA Chater, AK Kleppe… - Nature …, 2014 - nature.com
Throughout much of condensed matter science, correlated disorder is a key to material
function. While structural and compositional defects are known to exist within a variety of …

Responsive metal–organic frameworks and framework materials: under pressure, taking the heat, in the spotlight, with friends

FX Coudert - Chemistry of Materials, 2015 - ACS Publications
Recent years have seen a large increase of the research effort focused on framework
materials, including the nowadays-ubiquitous metal–organic frameworks but also dense …

Mechanical properties of metal–organic frameworks

LR Redfern, OK Farha - Chemical science, 2019 - pubs.rsc.org
As the field of metal–organic frameworks (MOFs) continues to grow, the physical stability
and mechanical properties of these porous materials has become a topic of great interest …

Elucidation of flexible metal-organic frameworks: Research progresses and recent developments

JH Lee, S Jeoung, YG Chung, HR Moon - Coordination Chemistry Reviews, 2019 - Elsevier
Flexibility is a unique property of metal-organic frameworks (MOFs) that differentiates them
from other rigid inorganic porous materials such as zeolites and porous silica. Flexible …