相关论文: Spatial structure and aggregation of carbon allotr…
Macromolecular crowding can influence polymer shapes, which is important for understanding the thermodynamic stability of polymer solutions and the structure and function of biopolymers (proteins, RNA, DNA) under confinement. We explore the…
We reveal the assembly of monodisperse magnetite nanoparticles of sizes 5 nm, 15 nm and 25 nm from dilute water-based ferrofluids onto an amorphous magnetic template with out-of-plane anisotropy. From neutron reflectometry experiments we…
We study the structural and mechanical properties of nanoporous (NP) carbon materials by extensive atomistic machine-learning (ML) driven molecular dynamics (MD) simulations. To this end, we retrain a ML Gaussian approximation potential…
The formation of graphen-nanotube composites addresses a few basic problems. First, both partners are good donors and acceptors of electrons, which significantly complicates the intermolecular interaction between them leading to a two-well…
We report on various nanocarbons formed from a unique structural pattern containing two pentagons, three hexagons and two heptagons, resulting from local rearrange- ments around a divacancy in pristine graphene or nanotubes. This defect can…
In this article, we study the thermodynamic behavior of anisotropic shape (rod and disk) nanoparticle within the block copolymer matrix by using self-consistent field theory (SCFT) simulation. In particular, we introduce various defect…
The expanding application spectrum of plasmonic nanoantennas demand versatile design approaches to tailor the antenna properties for specific requirements. The design efforts primarily concentrate on shifting the operation wavelength or…
Carbon Black is a filler frequently used in conductive suspensions or nanocomposites, in which it forms networks supporting electric conductivity. Although Carbon Black aggregates originate from a presumably isotropic aggregation process,…
We present a paradigm in constructing very stable, faceted nanotube and fullerene structures by laterally joining nanoribbons or patches of different planar phosphorene phases. Our ab initio density functional calculations indicate that…
Inelastic neutron scattering measurements are utilized to explore relative changes in the generalized phonon density of states of nanocrystalline Si1xGex thermoelectric materials prepared via ball milling and hot-pressing techniques.…
A fast charged particle scattering on a single-wall carbon nanotube of zigzag type was considered. The differential cross sections of scattering on nanotubes of different spatial orientation with respect to the incident particles were…
We report a detailed analysis of the optical properties of single wall carbon nanotubes with different mean diameters as produced by laser ablation. From a combined study of optical absorption, high resolution electron energy-loss…
In this work, a coarse-grained (CG) model of carbon nanotube (CNT) reinforced polymer matrix composites is developed. A distinguishing feature of the CG model is the ability to capture interactions between polymer chains and nanotubes. The…
The interaction of ionizing radiation with nanometric targets is a field of interest for many branches of science such as: radiology, oncology, radiation protection and nanoelectronics. A new experimental technique known as nanodosimetry…
The use of polymer nanocomposites as gas barrier materials has seen increasing interest, including applications involving hydrogen transport and storage. Better understanding of gas transport through those polymeric systems requires 3D…
The extraordinary one-dimensional properties of carbon nanotubes have captivated scientists and engineers since their discovery in the early 1990s. In particular, semiconducting single-wall carbon nanotubes (SWCNTs) are highly promising for…
We study ground states of a hybrid system consisting of a polymer and an attractive nanowire by means of computer simulations. Depending on structural and energetic properties of the substrate, we find different adsorbed polymer…
Micromagnetic small-angle neutron scattering theory is well established for analyzing spin-misalignment scattering data of bulk ferromagnets. Here, this theory is extended to allow for a global uniaxial magnetic anisotropy (texture) of the…
A numerical simulation of silica aerogels is performed using diffusion-limited cluster-cluster aggregation of spheres inside a cubic box (with periodic boundary conditions). The volume fraction $c$ is taken to be sufficiently large to get a…
We exploit the near field enhancement of nano-antennas to investigate the Raman spectra of otherwise not optically detectable carbon nanotubes (CNTs). We demonstrate that a top-down fabrication approach is particularly promising when…