[HTML][HTML] Recent advances in computational modeling of MOFs: From molecular simulations to machine learning

H Demir, H Daglar, HC Gulbalkan, GO Aksu… - Coordination Chemistry …, 2023 - Elsevier
The reticular chemistry of metal–organic frameworks (MOFs) allows for the generation of an
almost boundless number of materials some of which can be a substitute for the traditionally …

Progress and potential of metal-organic frameworks (MOFs) for gas storage and separation: A review

T Jia, Y Gu, F Li - Journal of Environmental Chemical Engineering, 2022 - Elsevier
Gas storage and separation plays the most critically vital role in the utilization of energy
resources and the petrochemical industry in modern society. The development of industry …

Understanding and controlling the nucleation and growth of metal–organic frameworks

BP Carpenter, AR Talosig, B Rose… - Chemical Society …, 2023 - pubs.rsc.org
Metal–organic frameworks offer a diverse landscape of building blocks to design high
performance materials for implications in almost every major industry. With this diversity …

Understanding the Effect of Water on CO2 Adsorption

JM Kolle, M Fayaz, A Sayari - Chemical Reviews, 2021 - ACS Publications
Carbon capture from large sources and ambient air is one of the most promising strategies
to curb the deleterious effect of greenhouse gases. Among different technologies, CO2 …

Molecular catalysis of energy relevance in metal–organic frameworks: from higher coordination sphere to system effects

NF Suremann, BD McCarthy, W Gschwind… - Chemical …, 2023 - ACS Publications
The modularity and synthetic flexibility of metal–organic frameworks (MOFs) have provoked
analogies with enzymes, and even the term MOFzymes has been coined. In this review, we …

Coordinatively unsaturated metal sites (open metal sites) in metal–organic frameworks: design and applications

Ü Kökçam-Demir, A Goldman, L Esrafili… - Chemical Society …, 2020 - pubs.rsc.org
Metal–organic frameworks (MOFs) can contain open metal sites (OMS) or coordinatively
unsaturated sites (CUS) or open coordination sites (OCS) when vacant Lewis acid sites on …

Copper-based metal–organic frameworks for biomedical applications

JE Cun, X Fan, Q Pan, W Gao, K Luo, B He… - Advances in Colloid and …, 2022 - Elsevier
Metal–organic frameworks (MOFs) are a class of important porous, crystalline materials
composed of metal ions (clusters) and organic ligands. Owing to the unique redox chemistry …

Progress toward the computational discovery of new metal–organic framework adsorbents for energy applications

PZ Moghadam, YG Chung, RQ Snurr - Nature Energy, 2024 - nature.com
Metal–organic frameworks (MOFs) are a class of nanoporous material precisely synthesized
from molecular building blocks. MOFs could have a critical role in many energy …

Porous aromatic frameworks (PAFs)

Y Tian, G Zhu - Chemical reviews, 2020 - ACS Publications
Porous aromatic frameworks (PAFs) represent an important category of porous solids. PAFs
possess rigid frameworks and exceptionally high surface areas, and, uniquely, they are …