Understanding MOF flexibility: An analysis focused on pillared layer MOFs as a model system
Flexible porous frameworks are at the forefront of materials research. A unique feature is
their ability to open and close their pores in an adaptive manner induced by chemical and …
their ability to open and close their pores in an adaptive manner induced by chemical and …
Inorganic–organic hybrid dielectrics for energy conversion: mechanism, strategy, and applications
F Wu, A **e, L Jiang, S Mukherjee… - Advanced Functional …, 2023 - Wiley Online Library
Dielectric materials with higher energy storage and electromagnetic (EM) energy conversion
are in high demand to advance electronic devices, military stealth, and mitigate EM wave …
are in high demand to advance electronic devices, military stealth, and mitigate EM wave …
Simulations in the era of exascale computing
Exascale computers—supercomputers that can perform 1018 floating point operations per
second—started coming online in 2022: in the United States, Frontier launched as the first …
second—started coming online in 2022: in the United States, Frontier launched as the first …
[HTML][HTML] Machine learning potentials for metal-organic frameworks using an incremental learning approach
Computational modeling of physical processes in metal-organic frameworks (MOFs) is
highly challenging due to the presence of spatial heterogeneities and complex operating …
highly challenging due to the presence of spatial heterogeneities and complex operating …
Recent progress on MOF/MXene nanoarchitectures: A new era in coordination chemistry for energy storage and conversion
The development of urbanization and industrialization leads to rapid depletion of fossil fuels.
Therefore, the production of fuel from renewable resources is highly desired …
Therefore, the production of fuel from renewable resources is highly desired …
Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations
Within this Perspective, we critically reflect on the role of first-principles molecular dynamics
(MD) simulations in unraveling the catalytic function within zeolites under operating …
(MD) simulations in unraveling the catalytic function within zeolites under operating …
The role of dynamic metal-ligand bonds in metal-organic framework chemistry
Metal-organic frameworks (MOFs) are an emerging class of porous materials composed of
metal ions or clusters interconnected by organic ligands. Many proposed applications for …
metal ions or clusters interconnected by organic ligands. Many proposed applications for …
Functional dynamics in framework materials
Dynamic crystalline materials have emerged as a unique category of condensed phase
matter that combines crystalline lattice with components that display dynamic behavior in the …
matter that combines crystalline lattice with components that display dynamic behavior in the …
Spatiotemporal Design of the Metal–Organic Framework DUT‐8 (M)
Switchable metal–organic frameworks (MOFs) change their structure in time and selectively
open their pores adsorbing guest molecules, leading to highly selective separation …
open their pores adsorbing guest molecules, leading to highly selective separation …
MOFs in the time domain
DJ Cerasale, DC Ward, TL Easun - Nature Reviews Chemistry, 2022 - nature.com
Many of the proposed applications of metal–organic framework (MOF) materials may fail to
materialize if the community does not fully address the difficult fundamental work needed to …
materialize if the community does not fully address the difficult fundamental work needed to …