相关论文: How to manipulate nanoparticle morphology with vac…
High-density and nanosized deformation twins in face-centered cubic (fcc)materials can effectively improve the combination of strength and ductility. However, the microscopic dislocation mechanisms enabling a high twinnability remain…
Plasticity in body-centered cubic (BCC) nanocrystals is often associated with twin nucleation phenomena under extreme loading conditions. Here, we reveal unconventional twinning pathways that operate at the intersection of crystal…
Fivefold-twinned metal nanoparticles host a central wedge disclination that strongly influences their mechanical and catalytic properties. Yet the atomistic mechanisms governing the stability, migration, and annihilation of this topological…
We report on the crystallographic structure of penta-twinned gold nanoparticles. Although gold typically exhibits a face-centered cubic (fcc) lattice, other phases have been reported in some nanoscale systems. We show that the…
We introduce optically tunable surfaces based upon metallic gold nanoparticles trapped in open, water-filled gold cavities. The optical properties of the surfaces change dramatically with the presence and location of the particles inside…
Starting from a semi-empirical potential designed for Cu, we developed a series of potentials that provide essentially constant values of all significant (calculated) materials properties except for the intrinsic stacking fault energy,…
We investigate the electronic properties of semi-metallic (12,0) carbon nanotubes in the presence of a variety of mono-, di- and hexa-vacancy defects, by using first principle DFT combined with non-equilibrium Green's function technique. We…
Using first-principles plane wave calculations we predict that electronic and magnetic properties of graphene nanoribbons can be affected by defect-induced itinerant states. The band gaps of armchair nanoribbons can be modified by hydrogen…
The properties and applications of metallic nanoparticles are inseparably connected not only to their detailed morphology and composition, but also to their structural configuration and mutual interactions. As a result, the assemblies often…
Nanocrystals, used as building blocks, may self-assemble in long-range ordered assemblies socalled supracrystals. Different structures FCC, BCC but also Frank-Kasper phases have been observed and the roles of the soft ligands surrounding…
Functionalized nanoparticles (NPs) are complex objects present in a variety of systems ranging from synthetic grafted nanoparticles to viruses. The morphology and number of the decorating groups can vary widely between systems. Thus, the…
Targeting specific technological applications requires the control of nanoparticle properties, especially the crystalline polymorph. Freezing a nanodroplet deposited on a solid substrate leads to the formation of crystalline structures. We…
The shape of metal nanoparticles embedded in dielectric matrices influences the optical properties of the composite material. Swift heavy ion irradiation can induce a controllable shape transformation in gold and other metals embedded in…
In recent years, nanostructures with hexagonal polytypes of gold have been synthesised, opening new possibilities in nanoscience and technology. As bulk gold crystallizes in the \textit{fcc} phase, surface effects can play an important role…
Optical tweezers have revolutionized particle manipulation at the micro- and nanoscale, playing a critical role in fields such as plasmonics, biophysics, and nanotechnology. While traditional optical trapping methods primarily rely on…
Topological states of light represent counterintuitive optical modes localized at boundaries of finite-size optical structures that originate from the properties of the bulk. Being defined by bulk properties, such boundary states are…
Topological states of light represent counterintuitive optical modes localized at boundaries of finite-size optical structures that originate from the properties of the bulk. Being defined by bulk properties, such boundary states are…
Topological edge states exist at the interfaces between two topologically-distinct materials. The presence and number of such modes are deterministically predicted from the bulk-band topologies, known as the bulk-edge correspondence. This…
We report a comprehensive study of aqueous halide adsorption on nanoparticles of gold and palladium that addresses several limitations hampering the use of atomistic modeling as a tool for understanding and improving wet-chemical synthesis…
The assembly of nanometer-sized building blocks into complex morphologies is not only of fundamental interest but also plays a key role in material science and nanotechnology. We show that the shape of self-assembled superstructures formed…