Related papers: Synthesizing carbon nanotubes in space
A comprehensive model atom was constructed for C I using the most up-to-date atomic data. We evaluated non-local thermodynamical equilibrium (NLTE) line formation for neutral carbon in classical 1D models representing atmospheres of…
Astronomical infrared spectral features at ~6.6, 9.8 and 20 micronm have recently been suggested as being due to the planar graphene form of C24 carbon cluster. Here we report density functional theory and coupled cluster calculations on…
The experiment was conducted to synthesize carbon nanospheres of different sizes by controlling the temperature in polycondensation reaction of glucose under hydrothermal process. The surface morphology, structural, optical, and thermal…
We report the first detection in the interstellar medium of $N$-cyanomethanimine (H$_2$CNCN), the stable dimer of HCN of highest energy, and the most complex organic molecule identified in space containing the prebiotically relevant NCN…
In this dissertation, thermal and electrical properties of aligned multiwall carbon nanotubes (MWNTs) prepared by thermal decomposition of hydrocarbons have been experimentally studied. The thesis consists of six chapters. Ch1 is an…
A way to produce new metal-carbon nanoobjects by transformation of a graphene flake with an attached transition metal cluster under electron irradiation is proposed. The transformation process is investigated by molecular dynamics…
Interstellar space hosts nanometre- to micron-sized dust grains. The carbonaceous-rich component of these grain populations emits in infrared bands, observed remotely for decades with telescopes and satellites. They are a key ingredient of…
Our automated reaction discovery program, AutoMeKin, has been utilized to investigate the formation of glycolonitrile (HOCH$_{2}$CN) in the gas phase under the low temperatures of the interstellar medium (ISM). The feasibility of a proposed…
Vibration reduction is of great importance in various engineering applications, and a material that exhibits good vibration damping along with high strength and modulus has become more and more vital. Owing to the superior mechanical…
The interface of two dissimilar materials is well known for surprises in condensed matter, and provides avenues for rich physics as well as seeds for future technological advancements. We present some exciting magnetization (M) and remnant…
Sensing technologies have been under research and development for their varied applications from microelectronics to space exploration. With the end of Moores law in sight, there is growing demand for shrinking materials and improving…
The apex region of a capped (5,5) carbon nanotube (CNT) has been modelled with the DFT package ONETEP, using boundary conditions provided by a classical calculation with a conducting surface in place of the CNT. Results from the DFT…
The thermal radiation from an isolated finite-length carbon nanotube (CNT) is theoretically investigated both in near- and far-field zones. The formation of the discrete spectrum in metallic CNTs in the terahertz range is demonstrated due…
The diverse isotopic anomalies of meteorites demonstrate that the protoplanetary disk was composed of components from different stellar sources, which mixed in the disk and formed the planetary bodies. However, the origin of the accretion…
We present a general approach to the computational design of nanostructured chemical sensors. The scheme is based on identification and calculation of microscopic descriptors (design parameters) which are used as input to a thermodynamic…
The study of molecules and their chemistry in star-forming regions is fundamental to understand the physical process occurring in such regions. The HCN and HNC J=1-0 emissions were used to derive their integrated line intensities (I), to…
To study the shape formation process of carbon nanotubes, a string equation describing the possible existing shapes of the axis-curve of multishell carbon tubes (MCTs) is obtained in the continuum limit by minimizing the shape energy, that…
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,…
Polycyclic aromatic hydrocarbons and polycyclic aromatic nitrogen heterocycles are thought to be widespread throughout the Universe, because these classes of molecules are probably responsible for the unidentified infrared bands, a set of…
Recently, laser-assisted chemical vapor deposition was used to synthesize a free-standing, continuous, and stable monolayer amorphous carbon (MAC). MAC is a pure carbon structure composed of randomly distributed five, six, seven, and eight…