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4 articles for “Iron catalyst”
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From Quantum Chemistry to Bioprocess Intensification: Advanced Computational Modeling and Enzyme-Based Catalytic Platforms for Green Chemical Transformations
Abstract: Green chemistry requires the development of sustainable catalytic systems that minimize waste generation, reduce energy consumption, and improve process efficiency. Computational chemistry and biocatalysis have emerged as complementary approaches for environmentally responsible chemical manufacturing. Computational techniques such as quantum chemistry, density functional theory (DFT), molecular dynamics, and machine learning provide mechanistic insights into catalytic reactions and support the rational design of efficient catalysts. These approaches enable the prediction of reaction …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 45–52 Read article
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Integrated Computational and Bio-catalytic Transformations: DFT-Guided Mechanistic Insights, Machine Learning, and Nano-biocatalyst Engineering for Sustainable Catalysis
Abstract: Computational catalysis has emerged as a transformative scientific discipline that integrates quantum chemistry, molecular modeling, machine learning, and density functional theory (DFT) to understand catalytic mechanisms and design highly efficient catalytic systems for sustainable industrial applications. The increasing global demand for environmentally responsible chemical manufacturing has accelerated research on advanced catalytic materials including transition metal catalysts, metal–organic frameworks (MOFs), homogeneous catalysts, heterogeneous systems, and bimetallic catalysts involving nickel and iron. …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 36–44 Read article
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Catalytic Performance Improvement in Polymer Derived Nanostructures for Fuel Cell Applications
Abstract: The performance and operational lifetime of PEMFCs are closely linked to the catalytic activity and durability of cathode electrocatalysts. In this research, a polymer-derived cobalt–iron nitrogen-doped carbon (CoFe–N/C) nanostructured catalyst is developed to enhance the ORR performance for PEMFC applications. PAN and melamine serve as nitrogen-rich polymer precursors, while cobalt and iron salts generate highly dispersed metal–nitrogen active sites within a porous carbon matrix through thermal treatment at 900 °C. …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 968–979 Read article
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Cobalt-Iron Sulfide and Cobalt Sulfide of Cobalt –III Dithiocarbamate Complexes Synthesis and Efficacy for Photocatalytic Dilapidation of Tints
Abstract: Dithio Carbamate compounds comprising pyrrole moiety which is a hetero cyclic fragrant Carbon- based composite for identifying of anions of Cobalt-III, Methyl Ferro Cenyl Sulfoxide and Nickel-II complexes were used as only basis originators on behalf of working out of Sulfide & Iron Sulfide of Cobalt atoms. Infrared spectral notes on nanoparticles endorse the occurrence of coating agent – Tri- ethylenetetramine. The exploration of nano particles by photo reagents to …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 1, 2024 · pp. 01–06 Read article