Copper–oxygen adducts: new trends in characterization and properties towards C–H activation
J De Tovar, R Leblay, Y Wang, L Wojcik… - Chemical …, 2024 - pubs.rsc.org
This review summarizes the latest discoveries in the field of C–H activation by copper
monoxygenases and more particularly by their bioinspired systems. This work first describes …
monoxygenases and more particularly by their bioinspired systems. This work first describes …
Impacts of framework Al distribution and acidic properties of Cu-exchanged CHA-type zeolite on catalytic conversion of methane into methanol followed by lower …
This work highlighted the significance of the Al distribution in the CHA-type zeolite in the
formation of active Cu species for oxidative conversion of CH4; isolated Al atoms in the …
formation of active Cu species for oxidative conversion of CH4; isolated Al atoms in the …
Identification and quantification of multinuclear Cu active sites derived from monomeric Cu moieties for dry NO oxidation over Cu-SSZ-13
The identification and quantification of multinuclear Cu-oxo cations in Cu-zeolites is a
challenge amidst the dynamic nature of Cu ions in Cu-zeolites. Herein, we synthesized Cu …
challenge amidst the dynamic nature of Cu ions in Cu-zeolites. Herein, we synthesized Cu …
Homolytic versus Heterolytic Methane Hydroxylation in Copper Zeolites
Oxygen-activated copper zeolites are capable of selectively converting methane to methanol
at mild conditions, using a mono-oxygen bridged Cu (II) site [CuOCu] 2+ as the active core …
at mild conditions, using a mono-oxygen bridged Cu (II) site [CuOCu] 2+ as the active core …
Theoretical investigation on the structure-activity relationship for methane activation in Cu-CHA zeolite
The active sites and structure–activity relationship for methane activation over Cu-CHA were
investigated by Density Functional Theory (DFT) calculations.[CuOCu] 2+,[CuO 2 Cu] …
investigated by Density Functional Theory (DFT) calculations.[CuOCu] 2+,[CuO 2 Cu] …
Conditions to meet for the [CuOH]+ site to be favorable and reactive toward the conversion of methane to methanol over Cu-MOR zeolite
The nature of the active site in copper-exchanged zeolites catalyzing the direct conversion of
CH4 to CH3OH has been a long yet important discussion. The mononuclear CuOH active …
CH4 to CH3OH has been a long yet important discussion. The mononuclear CuOH active …
Density Functional Theory Studies of the Direct Conversion of Methane to Methanol Using O2 on Graphitic MN4G-BN (M = Fe, Co, Cu) and CuN4G-PN Single-Atom …
Graphene-based single-atom catalysts have attracted increasing interest due to their
potential to catalyze the direct conversion of CH4 to CH3OH. In particular, the porphyrin-like …
potential to catalyze the direct conversion of CH4 to CH3OH. In particular, the porphyrin-like …
Rutile-type metal dioxide (110) surfaces for the cyclic oxidation of methane to methanol
The direct conversion of methane to methanol has attracted increasing interests, owing to
the necessity for an abundant low-carbon source of energy. However, numerous challenges …
the necessity for an abundant low-carbon source of energy. However, numerous challenges …
Modelling on a Biomimetic [Cu− O− Cu] 2+‐mediated Methane‐to‐Methanol Conversion Unveils the Site for Methane Activation
The Cu− O− Cu core exhibits methane‐to‐methanol conversion, mirroring the reactivity of
the copper‐containing enzyme pMMO. Herein, we computationally examined the reactivity …
the copper‐containing enzyme pMMO. Herein, we computationally examined the reactivity …
Quantifying the Limits of Methane Activation in Cu-exchanged Zeolites using Reactive and Interpretable Machine Learning based Potentials
Natural gas remains an essential energy source for the industrial and residential sectors.
However, selective valorization of methane (the main component of natural gas) into more …
However, selective valorization of methane (the main component of natural gas) into more …