Blue hydrogen: Current status and future technologies
FS AlHumaidan, MA Halabi, MS Rana… - Energy Conversion and …, 2023 - Elsevier
Hydrogen is expected to play a key role in the world's energy-mix in the near future within
the context of a new energy transition that has been ongoing over the past decade. This …
the context of a new energy transition that has been ongoing over the past decade. This …
[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 …
[HTML][HTML] Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery
The modular nature of metal–organic frameworks (MOFs) enables synthetic control over
their physical and chemical properties, but it can be difficult to know which MOFs would be …
their physical and chemical properties, but it can be difficult to know which MOFs would be …
Advances, updates, and analytics for the computation-ready, experimental metal–organic framework database: CoRE MOF 2019
Over 14 000 porous, three-dimensional metal–organic framework structures are compiled
and analyzed as a part of an update to the Computation-Ready, Experimental Metal …
and analyzed as a part of an update to the Computation-Ready, Experimental Metal …
Material evolution with nanotechnology, nanoarchitectonics, and materials informatics: what will be the next paradigm shift in nanoporous materials?
Materials science and chemistry have played a central and significant role in advancing
society. With the shift toward sustainable living, it is anticipated that the development of …
society. With the shift toward sustainable living, it is anticipated that the development of …
Machine learning meets with metal organic frameworks for gas storage and separation
The acceleration in design of new metal organic frameworks (MOFs) has led scientists to
focus on high-throughput computational screening (HTCS) methods to quickly assess the …
focus on high-throughput computational screening (HTCS) methods to quickly assess the …
Nanoconfinement and mass transport in metal–organic frameworks
CH Sharp, BC Bukowski, H Li, EM Johnson… - Chemical Society …, 2021 - pubs.rsc.org
The ubiquity of metal–organic frameworks in recent scientific literature underscores their
highly versatile nature. MOFs have been developed for use in a wide array of applications …
highly versatile nature. MOFs have been developed for use in a wide array of applications …
[HTML][HTML] Recent advances, opportunities, and challenges in high-throughput computational screening of MOFs for gas separations
In the last two decades, metal organic frameworks (MOFs) have gained significant attention
as adsorbent and membrane materials for gas separations. Due to the large number and …
as adsorbent and membrane materials for gas separations. Due to the large number and …
Effect of metal–organic framework (MOF) database selection on the assessment of gas storage and separation potentials of MOFs
Abstract Development of computation‐ready metal–organic framework databases (MOF
DBs) has accelerated high‐throughput computational screening (HTCS) of materials to …
DBs) has accelerated high‐throughput computational screening (HTCS) of materials to …
High-Throughput Computational Screening of Metal–Organic Frameworks as High-Performance Electrocatalysts for CO2RR
G Hai, X Xue, S Feng, Y Ma, X Huang - ACS Catalysis, 2022 - ACS Publications
Metal–organic frameworks (MOFs) are considered as promising electrocatalytic materials for
the carbon dioxide reduction reaction (CO2RR) due to their various excellent properties …
the carbon dioxide reduction reaction (CO2RR) due to their various excellent properties …