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Topics in Catalysis OnlineFirst articles

05-10-2021 | Original Paper

Synthesis and Characterization of Graphite Oxide Derived TiO2-Carbon Composites as Potential Electrocatalyst Supports

TiO2-C (carbon) hybrid materials are promising electrocatalyst supports because the presence of TiO2 results in enhanced stability. Use of new types of carbonaceous materials such as reduced graphene oxide instead of traditional active carbon …

01-10-2021 | Original Paper

Exploring Metal Cluster Catalysts Using Swarm Intelligence: Start with Hydrogen Adsorption

The catalytic function of metal nanoclusters has attracted much attention because of their specific activity and selectivity. The structures of metal clusters are very diverse, especially when adsorbates are adsorbed on them. This is an obstacle …

16-09-2021 | Original Paper

A Tramadol Drug Electrochemical Sensor Amplified by Biosynthesized Au Nanoparticle Using Mentha aquatic Extract and Ionic Liquid

In this research, the Au nanoparticle was synthesized using a biosynthesized strategy by Mentha aquatic extract and characterized by Uv-vis spectroscopic method. The synthesized Au/NPs were used as a conductive mediator for the modification of the …

14-09-2021 | Original Paper Open Access

On the Importance of Considering Multinuclear Metal Sites in Homogeneous Catalysis Modeling

In this short review, we provide an account of a number of computational studies of catalytic reaction mechanisms carried out in our groups. We focus in particular on studies in which we came to realize during the course of the investigation that …

12-09-2021 | Original Paper

Automated Construction and Optimization Combined with Machine Learning to Generate Pt(II) Methane C–H Activation Transition States

Quantum–mechanical transition states can aid in the identification of promising catalysts for methane C–H activation and functionalization. However, only a limited amount of the vast metal–ligand chemical space has been computationally evaluated.

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Composed only of invited articles from leading authors, this journal documents today’s emerging and critical trends in all branches of catalysis. Each themed issue is organized by guest editors in collaboration with the Editors in Chief. Proposals for new topics are welcome and should be submitted directly to the Editors-in-Chief. Uninvited contributions may be sent to Catalysis Letters.

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