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 …
Computational catalysis for metal-organic frameworks: an overview
Abstract Metal-organic frameworks (MOFs), a family of porous hybrid organic/inorganic
materials, have shown great promise for many challenging chemical applications including …
materials, have shown great promise for many challenging chemical applications including …
Single–atom catalysts based on Fenton-like/peroxymonosulfate system for water purification: design and synthesis principle, performance regulation and catalytic …
L Hao, C Guo, Z Hu, R Guo, X Liu, C Liu, Y Tian - Nanoscale, 2022 - pubs.rsc.org
Novel single-atom catalysts (SACs) have become the frontier materials in the field of
environmental remediation, especially wastewater purification because of their nearly 100 …
environmental remediation, especially wastewater purification because of their nearly 100 …
Nano-porous bimetallic CuCo-MOF-74 with coordinatively unsaturated metal sites for peroxymonosulfate activation to eliminate organic pollutants: Performance and …
The importance of clean water resources for maintaining sustainable development of society
is self-evident. In this study, bimetallic metal-organic framework (CuCo-MOF-74) was …
is self-evident. In this study, bimetallic metal-organic framework (CuCo-MOF-74) was …
New strategies for direct methane-to-methanol conversion from active learning exploration of 16 million catalysts
Despite decades of effort, no earth-abundant homogeneous catalysts have been discovered
that can selectively oxidize methane to methanol. We exploit active learning to …
that can selectively oxidize methane to methanol. We exploit active learning to …
High Gravimetric and Volumetric Ammonia Capacities in Robust Metal–Organic Frameworks Prepared via Double Postsynthetic Modification
Ammonia is a promising energy vector that can store the high energy density of hydrogen.
For this reason, numerous adsorbents have been investigated as ammonia storage …
For this reason, numerous adsorbents have been investigated as ammonia storage …
Surface-functionalized PVDF membranes by facile synthetic Cu-MOF-74 for enhanced contaminant degradation and antifouling performance
H Zheng, Y Zhou, D Wang, M Zhu, X Sun… - Colloids and Surfaces A …, 2022 - Elsevier
Catalytic membrane reactors (CMR) based on the sulfate-based advanced oxidation
processes (SR-AOPs) have exhibited fantastic applications prospects in water treatment. We …
processes (SR-AOPs) have exhibited fantastic applications prospects in water treatment. We …
Influence of first and second coordination environment on structural Fe (II) sites in MIL-101 for C–H bond activation in methane
Divalent iron sites in tri-iron oxo-centered metal nodes in metal–organic frameworks (MOFs)
catalyze light alkane oxidation. The first two steps of the reaction sequence, which are also …
catalyze light alkane oxidation. The first two steps of the reaction sequence, which are also …
Gas adsorption and framework flexibility of CALF-20 explored via experiments and simulations
In 2021, Svante, in collaboration with BASF, reported successful scale up of CALF-20
production, a stable MOF with high capacity for post-combustion CO2 capture which exhibits …
production, a stable MOF with high capacity for post-combustion CO2 capture which exhibits …
Correlating structure-activity-stability relationship of high-valent 3d-metal-based MOFs and MOF-derived materials for electrochemical energy conversion and storage
The energy crises and environmental pollution are the current main challenges for society.
In this regard, efficient electrochemical energy conversion and storage technologies could …
In this regard, efficient electrochemical energy conversion and storage technologies could …