In recent years, the development of new types of nanostructured catalysts has become a hot research area in the field of sustainable chemical reactions. This is due to the enhanced catalytic performance of such nanomaterials resulting from their high catalytic surface area-to-volume ratio, easily tunable and highly dispersed active centers, and unique electron transfer properties. As a result, such nanostructures can tackle the most challenging issues in catalytic processes, including energy conversion, environmental applications, and green syntheses, where traditional catalysts are commonly inefficient and selective. A number of theoretical studies have shown that the catalytic activity of such nanostructuring can be accurately tuned based on the control of defining parameters, such as particle size, shape, composition, support interactions, and nature. In particular, the optimization of such factors can allow for the elaboration of new reaction pathways and lower the energy barriers of reaction processes such as water splitting, CO2 reduction, and ammonia synthesis. The use of density functional theory provides credible information on the electronic structure of different types of nanocatalysts including the aforementioned transition metals, their oxides, carbides, and nitrides, revealing that nanostructured materials exhibit their unique d-band centers and changed charge distributions. It is these parameters that make nanocatalysts more reactive and capable of better adsorbing and activating the adsorbed reactant molecules compared to their bulk analogues. In the literature, there are numerous successful case studies of the controlled synthesis and subsequent use of different types of nanostructured catalysts, including shape- and alloy-engineered Pt-TM nanocatalysts, including Pt-Co, Pt-Fe, and Pt-Ni, that have demonstrated super catalytic activity in hydrogen evolution reactions compared to their bulk counterparts, the overall activity and durability being one to two orders of magnitude higher. The results of density functional theory calculations have also envisaged other types of new promising catalysts, such as carbon-based nanomaterials, including graphene and CNT-doped N or S, which have no less catalytic efficiency compared with metal N or S containing catalysts that are thermodynamically unstable and therefore highly competitive and environmentally benign. Separate theoretical research has also shown that MOFs and COFs modified with nanoscale catalytic centers also have a bright future, to be selective and operating under very mild conditions, especially in CO2 and CC forming technologies. In conclusion, it can be stated that the theoretical data unambiguously displays that nanostructured catalysts are a breakthrough in catalysis that can move us towards the use of the most sustainable and energy-efficient chemical technologies for future energy and environmental technologies.
Nanostructured catalysts, Sustainable chemical reactions, Density functional theory (DFT), Hydrogen evolution reactions, Carbon-based nanomaterials, Metal-organic frameworks (MOFs)
IRE Journals:
Dr. K. S. Lamani
"Nanostructured Catalysts for Sustainable Chemical Reactions Enhance Catalytic Performance in Various Reactions" Iconic Research And Engineering Journals Volume 6 Issue 1 2022 Page 697-708
IEEE:
Dr. K. S. Lamani
"Nanostructured Catalysts for Sustainable Chemical Reactions Enhance Catalytic Performance in Various Reactions" Iconic Research And Engineering Journals, 6(1)