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[HTML][HTML] Recent advances in computational modeling of MOFs: From molecular simulations to machine learning
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 …
almost boundless number of materials some of which can be a substitute for the traditionally …
Metal–organic frameworks and derived materials as photocatalysts for water splitting and carbon dioxide reduction
One of the currently proposed solutions for finding alternatives to fossil fuels and combating
environmental pollution concerns the development of advanced materials for clean and …
environmental pollution concerns the development of advanced materials for clean and …
Emerging trends in porous materials for CO 2 capture and conversion
The presence of an excessive concentration of CO2 in the atmosphere needs to be curbed
with suitable measures including the reduction of CO2 emissions at stationary point sources …
with suitable measures including the reduction of CO2 emissions at stationary point sources …
Photocatalytic CO2 reduction over metal-organic framework-based materials
D Li, M Kassymova, X Cai, SQ Zang… - Coordination Chemistry …, 2020 - Elsevier
Photocatalytic reduction of carbon dioxide (CO 2) into high value-added chemicals using
clean and renewable solar energy is a very promising pathway to address energy and …
clean and renewable solar energy is a very promising pathway to address energy and …
Recent advances in MOF-based photocatalysis: environmental remediation under visible light
Q Wang, Q Gao, AM Al-Enizi, A Nafady… - Inorganic Chemistry …, 2020 - pubs.rsc.org
Visible light-induced photocatalysis is a promising way for environmental remediation due to
efficient utilization of solar energy. Recently, metal–organic frameworks (MOFs) have …
efficient utilization of solar energy. Recently, metal–organic frameworks (MOFs) have …
Metal–organic frameworks: molecules or semiconductors in photocatalysis?
In the realm of solids, metal–organic frameworks (MOFs) offer unique possibilities for the
rational engineering of tailored physical properties. These derive from the modular …
rational engineering of tailored physical properties. These derive from the modular …
Stability of ZIF-8 nanopowders in bacterial culture media and its implication for antibacterial properties
The stability and degradation characteristics of metal–organic frameworks (MOFs) in liquid
media dictate their use in biomedical engineering applications. In this study, the antibacterial …
media dictate their use in biomedical engineering applications. In this study, the antibacterial …
Electronic structure modeling of metal–organic frameworks
Owing to their molecular building blocks, yet highly crystalline nature, metal–organic
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …
Cerium metal–organic framework for photocatalysis
Ligand-to-metal charge transfer (LMCT) can bring about the separation of photogenerated
charges. Here we calculate the electronic structures of metal–organic frameworks (MOFs) …
charges. Here we calculate the electronic structures of metal–organic frameworks (MOFs) …
Recent advances in strategies to modify MIL-125 (Ti) and its environmental applications
K Yue, X Zhang, S Jiang, J Chen, Y Yang, F Bi… - Journal of Molecular …, 2021 - Elsevier
Abstract MIL-125 (Ti) is a kind of Ti-MOF that has been deeply researched and is widely
used in adsorption, photocatalysis, electrode materials, sensors and other applications. This …
used in adsorption, photocatalysis, electrode materials, sensors and other applications. This …