Conspectus Over recent years, the field of thiolate-protected gold nanoclusters has made
remarkable progress. The successful determination of the structure of some of these clusters …

Solar-thermal utilization is one of the important ways of energy utilization at present and in
the future. Nanofluids play a key role in photothermal conversion. In this work, the low …

The enhanced interfacial interaction between carbon nanotubes (CNTs), and thus the
promoted interfacial thermal transport (ITT), are keys to improve the efficiency of CNT …

Abstract Machine-learning force fields (MLFF) should be accurate, computationally and data
efficient, and applicable to molecules, materials, and interfaces thereof. Currently, MLFFs …

Temperature-dependent optical properties are of paramount importance for fundamentally
understanding the electron–phonon interactions and phonon modes in atomically precise …

With the increasing integration of electronic devices, there are growing demands for
excellent thermal conductivity of thermal management materials on account of severe heat …

Density functional theory has a central position in the literature to demonstrate the materials'
physical and structural properties that are extremely useful for the human's daily life. Gold is …

This research uses molecular dynamics simulation (MD) to study the mechanical properties
of pristine polyethylene (PE) and its composites which include silver nanoparticles …

Distinct Raman spectroscopic signatures of the metal core of atomically precise, ligand‐
protected noble metal nanoclusters are reported using Au38 (PET) 24 and Au38− xAgx …

In this work, a decorated graphene oxide with gold nanoparticle (GO/Au NPs)/water hybrid
nanofluid was prepared as an efficient hybrid nanofluid for thermal conductivity …