Gold-based (Au) nanostructures are efficient catalysts for CO oxidation, hydrogen evolution (HER), and oxygen evolution (OER) reactions, but stabilizing them on graphene (Gr) is challenging due to weak affinity from delocalized [Formula: see text] carbon orbitals. This study investigates forming metal alloys to enhance stability and catalytic performance of Au-based nanocatalysts. Using ab initio density functional theory, we characterize [Formula: see text] sub-nanoclusters (M = Ni, Pd, Pt, Cu, and Ag) with atomicities [Formula: see text], both in gas-phase and supported on Gr.
View Article and Find Full Text PDFFrequent glucose monitoring is essential for effective diabetes management. Currently, glucose monitoring is done using invasive methods such as finger-pricking and subcutaneous sensing. However, these methods can cause discomfort, heighten the risk of infection, and some sensing devices need frequent calibration.
View Article and Find Full Text PDFThe knowledge on taxonomic diversity of arthropods is key to better understanding the biodiversity patterns and processes and guiding sustainable conservation strategies and practices. In the Azores, terrestrial arthropods are relatively well-inventoried following the publication of comprehensive checklists that have been regularly updated. Nevertheless, every year, new species are found as a result of new arrivals to the Archipelago and from addressing specific taxonomic lacunae.
View Article and Find Full Text PDFPlatinum (Pt) subnanoclusters have become pivotal in nanocatalysis, yet their molecular adsorption mechanisms, particularly on supported versus unsupported systems, remain poorly understood. Our study employs detailed density functional theory (DFT) calculations with D3 corrections to investigate molecular adsorption on Pt subnanoclusters, focusing on CO, NO, N, and O species. Gas-phase and graphene-supported scenarios are systematically characterized to elucidate adsorption mechanisms and catalytic potential.
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