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Global minimum potential energy state can be very challenging to locate in a relatively large atomistic system. Our present work investigates this problem using an example of gold nanoclusters, Au10, Au20, Au30, Au50. Nanoscale gold…
Gold nanoparticles (AuNPs) play an important role in fundamental research and development due to their versatile applications and biocompatibility. This study addresses the aging of three AuNP suspensions after the addition of various…
The development of simple, versatile strategies for the synthesis of gold nanoparticles (AuNPs) on semiconducting transition metal dichalcogenides (TMDC) layers is of increasing scientific and technological interest in photocatalysis,…
This work explores the enhancement of ionization clusters around a gold nanoparticle (NP), indicative of the induction of DNA lesions, a potential trigger for cell-death. Monte Carlo track structure simulations were performed to determine…
Hypothesis: Introducing charged terminal groups to polymers that graft nanoparticles enables Coulombic control over their assembly by tuning the pH and salinity of aqueous suspensions. Experiments: Gold nanoparticles (AuNPs) are grafted…
This study aimed to investigate the antitumor effect of ultrasmall gold nanoparticles (AuNPs), around 3 nm, stabilized by the anionic polysaccharide gum arabic (GA-AuNPs). The focus was downregulation of cancer hallmarks of aggressive…
Except serving as an excellent gift on proper occasions, gold finds applications in life sciences, particularly in diagnostics and therapeutics. These applications were made possible by gold nanoparticles, which differ drastically from…
Global geometry optimization and time-dependent density functional theory calculations have been used to study the structural evolution and optical properties of (AgAu)n (n=2-6) nanoalloys both as individual clusters and as clusters…
We report here a quantitative method of Transmission Electron Microscopy (TEM) to measure the shapes, sizes and volumes of nanoparticles which are responsible for their properties. Gold nanoparticles (Au NPs) acting as nucleating agents for…
A new type of metabolizable and efficient radiosensitizer for cancer radiotherapy is presented in this study by combining ultrasmall Au nanoclusters (NCs, <2 nm) with biocompatible coating ligands (glutathione, GSH). The new nano-construct…
In the present work, the formation of silver and copper nanostructures on highly oriented pyrolytic graphite (HOPG) modified with self-assembled gold nanoparticles (Au NPs) is demonstrated. Surface patterning with nanometer resolution was…
Single molecule tracking in live cells is the ultimate tool to study subcellular protein dynamics, but it is often limited by the probe size and photostability. Due to these issues, long-term tracking of proteins in confined and crowded…
Computational modeling and accurate simulations of localized surface plasmon resonance (LSPR) absorption properties are reported for gold nanobipyramids (GNBs), a class of metal nanoparticle that features highly tunable, geometrydependent…
Functionalized metal nanoparticles (NPs) have been proposed as promising radiosensitizing agents for more efficient radiotherapy treatment using photons and ion beams. Radiosensitizing properties of NPs may depend on many different…
Gold nanoparticles are unique electrocatalysts for oxygen reduction, carbon dioxide reduction, and alcohol oxidation. Electrocatalytic processes are influenced by the interaction with the solvent, yet the direct investigation of the…
Gold nanoclusters have been the focus of numerous computational studies but an atomistic understanding of their structural and dynamical properties at finite temperature is far from satisfactory. To address this deficiency, we investigate…
This study presents the results of atomistic structural characterisation of 3.7 nm diameter gold nanoparticles (NP) coated with polymer polyethylene glycol (PEG)-based ligands of different lengths (containing $2-14$ monomers) and solvated…
The adsorption of Ag$_3$ and Ag$_4$ clusters on the $\alpha$-Al$_2$O$_3$(0001) surface is explored with density functional theory. Within each adsorbed cluster, two different cluster-surface interactions are present. We find that silver…
This article describes the optical properties of nanostructures composed of silver particles embedded into a gold matrix. In previous studies these materials were shown to exhibit temperature dependent transitions to a highly conductive and…
In this paper, we have tried to find out the origin of magnetism in Gold nanoparticles (Au- NPs). We observe that upon incorporating Gold nanoparticles (Au-NPs) in Fe3O4 nanoparticle medium the net magnetisation increases compared to the…