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Three-dimensional interconnected nanowire networks have recently attracted notable attention for the fabrication of new devices for energy harvesting/storage, sensing, catalysis, magnetic and spintronic applications and for the design of…

Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the…

材料科学 · 物理学 2007-05-23 J. Schiøtz , T. Vegge , F. D. Di Tolla , K. W. Jacobsen

Gallium is a plasmonic material offering ultraviolet to near-infrared tunability, facile and scalable preparation, and good stability of nanoparticles. In our contribution, we experimentally demonstrate the link between the shape and size…

When two or more metallic nanoparticles are in close proximity, their plasmonic modes may interact through the near field, leading to additional resonances of the coupled system or to shifts of their resonant frequencies. This process is…

The activity and stability of a platinum nanoparticle (NP) is not only affected by its size but additionally depends on its shape. To this end, simulations can identify structure-property relationships to make a priori decisions on the most…

化学物理 · 物理学 2022-03-25 Björn Kirchhoff , Christoph Jung , Hannes Jónsson , Donato Fantauzzi , Timo Jacob

Boosting the sensitivity of solid-state gas sensors by incorporating nanostructured materials as the active sensing element can be complicated by interfacial effects. Interfaces at nanoparticles, grains, or contacts may result in non-linear…

Gold nanostructures have important applications in nanoelectronics, nano-optics as well as in precision metrology due to their intriguing opto-electronic properties. These properties are governed by the bulk band structure but to some…

We calculate the surface plasmon dispersion relations for a periodic chain of spherical metallic nanoparticles in an isotropic host, including all multipole modes in a generalized tight-binding approach. For sufficiently small particles…

材料科学 · 物理学 2009-11-10 Sung Yong Park , David Stroud

The study of metallic nanoparticles has a long tradition in linear and nonlinear optics [1], with current emphasis on the ultrafast dynamics, size, shape and collective effects in their optical response [2-6]. Nanoparticles also represent…

The shape of crystalline nanoparticles (NP) can often be described by polyhedra with flat facet surfaces. Thus, structural studies of polyhedral bodies can help to describe geometric details of NPs. Here we consider compact polyhedra of…

介观与纳米尺度物理 · 物理学 2023-07-24 Klaus E. Hermann

We examine the structure of compact metal nanoparticles (NPs) forming polyhedral sections of face centered (fcc) and body centered (bcc) cubic lattices, which are confined by facets characterized by highly dense {100}, {110}, and {111}…

原子与分子团簇 · 物理学 2022-03-21 Klaus E. Hermann

Using the extended discrete interaction model we investigate the tuneabilty of surface plasmon resonance in alloys and core-shell nanoparticles made from silver and gold. We show that the surface plasmon resonance of these alloys and…

In the search for phase change materials (PCM) that may rival traditional random access memory, a complete understanding of the amorphous to crystalline phase transition is required. For the well-known Ge2Sb2Te5 (GST) and GeTe (GT)…

材料科学 · 物理学 2015-06-19 James L. Bosse , Ilya Grishin , Bryan D. Huey , Oleg V. Kolosov

Multilevel self-assembly involving small structured groups of nano-particles provides new routes to development of functional materials with a sophisticated architecture. Apart from the inter-particle forces, the geometrical shapes and…

物理与社会 · 物理学 2017-11-15 Milovan Suvakov , Miroslav Andjelkovic , Bosiljka Tadic

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…

Correlating 3D arrangements of atoms and defects with material properties and functionality forms the core of several scientific disciplines. Here, we determined the 3D coordinates of 6,569 iron and 16,627 platinum atoms in a model…

The ordered structure of binary alloy nanoparticles determines their magnetic and catalytic characteristics. In the alloys after annealing, one of the components preferentially segregates on the surface to reduce surface energy. This…

Metal nanoparticles are receiving increased scientific attention owing to their unique physical and chemical properties that make them suitable for a wide range of applications in diverse fields, such as electrochemistry, biochemistry, and…

化学物理 · 物理学 2020-10-09 Bendix Petersen , Rafael Roa , Joachim Dzubiella , Matej Kanduc

The melting of metallic nanoparticles is governed by surface pre-melting, a phenomenon traditionally modeled as the isotropic growth of a uniform liquid shell. Challenging this classical view, we report facet-dependent surface pre-melting…

材料科学 · 物理学 2026-02-19 Marthe Bideault , Arnaud Allera , Ryoji Asahi , Jérôme Creuze , Erich Wimmer

We report theoretical evidence that bulk nonlinear materials weakly interacting with highly localized plasmonic modes in ultra-sub-wavelength metallic nanostructures can lead to nonlinear effects at the single plasmon level in the visible…

介观与纳米尺度物理 · 物理学 2017-04-27 Filippo Alpeggiani , Stefania D'Agostino , Daniele Sanvitto , Dario Gerace