Computational Modeling of Reticular Materials: The Past, the Present, and the Future
Reticular materials rely on a unique building concept where inorganic and organic building
units are stitched together giving access to an almost limitless number of structured ordered …
units are stitched together giving access to an almost limitless number of structured ordered …
High-throughput screening of hypothetical metal-organic frameworks for thermal conductivity
Thermal energy management in metal-organic frameworks (MOFs) is an important, yet often
neglected, challenge for many adsorption-based applications such as gas storage and …
neglected, challenge for many adsorption-based applications such as gas storage and …
Enhanced regenerability of metal-organic frameworks adsorbents: Influence factors and improved methods
Abstract Metal-Organic frameworks (MOFs) have been the next-generation adsorbent for
industrial production and environmental decontamination. However, enhancing the …
industrial production and environmental decontamination. However, enhancing the …
Sub-micrometer phonon mean free paths in metal–organic frameworks revealed by machine learning molecular dynamics simulations
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 …
structural tunability and hold great potential in various applications, many of which require a …
Reversible thermal conductivity switching using flexible metal–organic frameworks
The ability to control thermal transport is critical for the design of thermal rectifiers, logic
gates, and transistors, although it remains a challenge to design materials that exhibit large …
gates, and transistors, although it remains a challenge to design materials that exhibit large …
Correlated missing linker defects increase thermal conductivity in metal–organic framework UiO-66
Thermal transport in metal–organic frameworks (MOFs) is an essential but frequently
overlooked property. Among the small number of existing studies on thermal transport in …
overlooked property. Among the small number of existing studies on thermal transport in …
Machine learned force-fields for an Ab-initio quality description of metal-organic frameworks
Metal-organic frameworks (MOFs) are an incredibly diverse group of highly porous hybrid
materials, which are interesting for a wide range of possible applications. For a meaningful …
materials, which are interesting for a wide range of possible applications. For a meaningful …
Photothermally boosted water splitting electrocatalysis by broadband solar harvesting nickel phosphide within a quasi-MOF
L Ai, N Li, M Chen, H Jiang, J Jiang - Journal of Materials Chemistry A, 2021 - pubs.rsc.org
The thermal field effect effectively boosts water splitting electrocatalysis by lowering
activation energy barriers and accelerating sluggish kinetics. Solar-powered light-to-heat …
activation energy barriers and accelerating sluggish kinetics. Solar-powered light-to-heat …
Ultralong mean free path phonons in HKUST-1 and their scattering by water adsorbates
Metal-organic frameworks (MOFs) have shown big potential in energy storage and thermal
management, which are closely related to their thermal properties. It has been believed for …
management, which are closely related to their thermal properties. It has been believed for …
Insights into the thermal conductivity of MOF-5 from first principles
Metal–organic frameworks (MOFs) have been extensively studied in many fields due to their
abundant porous structures. The mechanism underlying the thermal conduction properties …
abundant porous structures. The mechanism underlying the thermal conduction properties …