Related papers: Computational study of boron nitride nanotube synt…
We report the synthesis of bell-shaped Bi/Bi13S18Br2 metal/semiconductor heterostructures as a photocatalyst based on non-toxic and Earth-abundant elements. Their unique morphology arises from a multi-step growth process, involving 1) the…
The nucleation of carbon caps on small nickel clusters is studied using a tight binding model coupled to grand canonical Monte Carlo simulations. It takes place in a well defined carbon chemical potential range, when a critical…
Hexagonal boron nitride (h-BN) is a prominent member in the growing family of two-dimensional materials with potential applications ranging from being an atomically smooth support for other 2D materials to templating growth of molecular…
Controlled synthesis of metastable materials away from equilibrium is of interest in materials chemistry. Thin film deposition methods with rapid condensation of vapor precursors can readily synthesize metastable phases, but often struggle…
Thin films of iron and permalloy Ni80Fe20 were prepared using an Ar+N2 mixture with magnetron sputtering technique at ambient temperature. The nitrogen partial pressure, during sputtering process was varied in the range of 0 to 100%,…
Metal-support interactions are frequently invoked to explain the enhanced catalytic activity of metal nanoparticles dispersed over reducible metal-oxide supports, yet the atomic scale mechanisms are rarely known. Here, we use scanning…
Boron nitride exhibits diverse crystal structures, predominantly a layered arrangement with strong intraplanar covalent bonds and weak interplanar van der Waals bonds. While commonly referred to as hexagonal BN (hBN), the sp$^2$-bonded BN…
The high aspect ratio of carbon nanotubes makes them prone to bending. To know how bending affects the tubes is therefore crucial for tube identification and for electrical component design. Very few studies, however, have investigated…
In this work, we explore the structure of single-wall boron nanotubes with large diameters (about 21~{\AA}) and a broad range of surface densities of atoms. The computations are done using an evolutionary approach combined with a nearest…
Nanomaterials under extreme conditions can behave in a completely different manner. High-velocity impact, for example, can produce nanoribbons without any chemical approach via carbon or boron nitride nanotubes unzipping. Although hybrid…
The recent discovery of pure boron nanotubes raises questions about their detailed atomic structure. Previous simulations predicted tubular structures with smooth or puckered surfaces. Here, we present some novel results based on ab initio…
Laser-assisted chemical vapour deposition (CVD) growth is an attractive mask-less process for growing locally aligned carbon nanotubes (CNTs) in selected places on temperature sensitive substrates. The nature of the localized process…
Engineering strain critically affects the properties of materials and has extensive applications in semiconductors and quantum systems. However, the deployment of strain-engineered nanocatalysts faces challenges, particularly in maintaining…
B and N K-edge x-ray absorption spectroscopy measurements have been performed on three BN thin films grown on Si substrates using ion-assisted pulsed laser deposition. Comparison of the films' spectra to those of several single-phase BN…
This report presents a systematic understanding of the nature behind the unusual behavior of a nanosolid, and a surface as well, in mechanics, thermodynamics, acoustics, optoelectronics, magnetism, dielectrics, atomic diffusivity and…
The controlled growth of carbon nitride (CN) films with tailored electronic properties and surface area is quite challenging due to the solid-state reaction and the lack of efficient interaction between C-N monomers and substrates. Herein,…
By sequential feeding of catalyst materials, it is revealed that the active growth sites are at the bottom of the carbon nanotubes (CNTs), and that catalyst particles are constantly encapsulated into nanotubes from the bottom. This gives a…
Nanoscale ferroelectric topologies such as vortices, anti-vortices, bubble patterns etc. are stabilized in thin films by a delicate balance of both mechanical and electrical boundary conditions. A systematic understanding of the phase…
The search for highly efficient and low-cost catalysts based on earth abundant elements is one of the main driving forces in organic and inorganic chemistry. Current strategies for the heterogeneous catalyst design focus on increasing the…
The evolution of a continuous Fe(NO3)3 catalyst film was observed by in-situ annealing in a Transmission Electron Microscope (TEM). Such catalysts are routinely used in the catalytic growth of carbon nanotubes. The experiments reveal that…