Related papers: Hydrogen storage in carbon derived from solid endo…
A hot filament chemical vapor deposition is an attractive technique to deposit carbon films of different applications. In this technique, it is also feasible to study the influence of chamber pressure in the deposition of carbon films. In…
We demonstrate buffer gas cooling of carbon atoms to cryogenic temperatures. By employing pulsed two-photon excitation followed by vacuum ultraviolet fluorescence detection, we measured the arrival time distribution of the ablated carbon…
Hydrogen bonding plays a crucial role in biology and technology, yet it remains poorly understood and quantified despite its fundamental importance. Traditional models, which describe hydrogen bonds as electrostatic interactions between…
Based on the traditional polycrystalline ferroelectric Ba0.85Ca0.15Zr0.10Ti0.90O3, the 0.4 Ba0.85Ca0.15Zr0.10Ti0.90O3 0.6 Ba0.9Sr0.1Ti0.9Sn0.1O3 medium entropy material with good energy storage and electrocaloric effect performances is…
The recent experimental synthesis of the two-dimensional (2D)boron-graphdiyne (BGDY) nanosheet has motivated us to investigate its structural, electronic,and energy storage properties. BGDY is a particularly attractive candidate for this…
Water (H2O) ice is an important solid constituent of many astrophysical environments. To comprehend the role of such ices in the chemistry and evolution of dense molecular clouds and comets, it is necessary to understand the freeze-out,…
Hydrogen as a fuel can be stored safely with high volumetric density in metals. It can, however, also be detrimental to metals causing embrittlement. Understanding fundamental behavior of hydrogen at atomic scale is key to improve the…
Recently, we have predicted [Phys. Rev. Lett. 97, 226102 (2006)] that a single ethylene molecule can form stable complexes with light transition metals (TM) such as Ti and the resulting TMn-ethylene complex can absorb up to ~12 and 14 wt %…
Carbon-carbon supercapacitors are high power electrochemical energy storage systems which store energy through reversible ion adsorption at the electrode-electrolyte interface. Due to the complex structure of the porous carbons used as…
We review our recent modelling work of carbon nanotubes as potential candidates for heat dissipation in microelectronics cooling. In the first part, we analyze the impact of nanotube defects on their thermal transport properties. In the…
We have developed a homogeneous model of physical chemistry to investigate the neutral-dominated, water-based Enceladus torus. Electrons are treated as the summation of two isotropic Maxwellian distributions$-$a thermal component and a hot…
We study the low temperature phase behavior of hydrogen within a bundle of carbon nanotubes. Because the carbon environment weakens the attraction between molecules within the same interstitial channel (IC), the ground state of the…
Two-dimensional (2D) structures of boron atoms so called borophene, have recently attracted remarkable attention. In a latest exciting experimental study, a hydrogenated borophene structure was realized. Motivated by this success, we…
Due to the presence of strong static correlation effects and noncovalent interactions, accurate prediction of the electronic and hydrogen storage properties of Li-adsorbed acenes with n linearly fused benzene rings (n = 3 - 8) has been very…
Electron stimulated desorption of cyclopentene from the Si(100)-2x1 surface is studied experimentally with cryogenic UHV STM and theoretically with transport, electronic structure, and dynamical calculations. Unexpectedly for a saturated…
Three typical one-dimensional (1D)/quasi-1D nanocarbons, linear carbon chains, carbon nanotubes, and graphene nanoribbons have been proven to grow inside single-wall carbon nanotubes. This gives rise to three types of hybrid materials whose…
The newly developed compound ExBox4+ is explored to check whether it is a proficient hydrogen storage material. Both exoherdal and endohedral hydrogen adsorption on ExBox4+ are studied. Endohedral hydrogen molecules interact strongly than…
We report a lithographic process for creating high-resolution (<10 nm) carbon templates on Si(100). A scanning electron microscope, operating under low vacuum (10E-6 mbar), produces a carbon-containing deposit ("contamination resist") on…
In regions where stars form, variations in density and temperature can cause gas to freeze-out onto dust grains forming ice mantles, which influences the chemical composition of a cloud. The aim of this paper is to understand in detail the…
Carbon materials have a range of properties such as high electrical conductivity, high specific surface area, and mechanical flexibility are relevant for electrochemical applications. Carbon materials are utilised in energy…