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Journal: Dimerization of the A?42 under the Influence of the Gold Nanoparticle: A REMD Study. (Pubmed Central) - Nov 28, 2024
The structural change of dimers in the presence and absence of the gold nanoparticle, Au55, was monitored over stable intervals...The influence of gold nanoparticles on the dimeric A?42 differs significantly from that of silver nanoparticles, which reduce ?-content but increase coil-, turn-, and ?-contents. The nature of inhibition will be discussed, in which the vdW interaction plays a driving force for the interaction between the A?42 dimer and the gold nanoparticle.
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Journal, Machine learning: A Divide-and-Conquer Approach to Nanoparticle Global Optimisation Using Machine Learning. (Pubmed Central) - Nov 17, 2024
This scheme was tested on a variety of multifunnel systems and yielded significant improvements to the times taken to locate the global minima of Lennard-Jones (LJ) nanoparticles, LJ75 and LJ104, as well as two metallic systems, Au55 and Pd88. However, difficulties were encountered for LJ98, providing insight into how the scheme could be further improved.
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Journal: Underlying mechanisms of gold nanoalloys stabilization. (Pubmed Central) - Dec 28, 2023
These features are explained by Au's surface energy, packing efficiency, and charge transfer mechanisms, which are enhanced by the alloys' preference for adopting the structure of the alloying metal rather than the low-symmetry one presented by Au55. These generalizations provide insights into the interplay between electronic and structural properties in gold nanoalloys, contributing to the understanding of their stabilization mechanisms and potential applications in various fields.
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