Related papers: High capacity H2 adsorption over Si4Lin (n=1-3) bi…
We present the detection of excited fine-structure energy levels of singly-ionized silicon and neutral carbon associated with the proximate damped Lyman-$\alpha$ system at $z_{\rm abs}=2.811$ towards \qso. This absorber has an apparent…
We combine data from our recent FUSE survey of interstellar molecular hydrogen absorption toward 50 high-latitude AGN with COBE-corrected IRAS 100 micron emission maps to study the correlation of infrared cirrus with H2. A plot of the H2…
Diverse magnetic and electronic properties of halogen-adsorbed silicene are investigated by the first-principles theoretical framework, including the adatom-diversified geometric structures, the atom-dominated energy bands, the spatial spin…
The stability of two-component clusters consisting of light (Na or K) and heavy (Rb or Cs) alkali atoms formed on helium nanodroplets is studied by femtosecond laser ionization in combination with mass spectrometry. Characteristic stability…
Hydrogen storage capacity, stability, bonding mechanism and the electronic structure of polylithiated molecules (OLi2) functionalized graphane (CH) has been studied by means of first principle density functional theory (DFT). Molecular…
We present a theoretical study, based on density functional theory and tight binding modeling, of the electronic structure and spin transport properties of silicon nanoparticles with adsorbed bismuth atoms. We find the bismuth atoms to form…
The effects of lithium absorption on the crystal structure and electronic properties of IrSi3, a binary silicide with a noncentrosymmetric crystal structure, were studied. X-ray and neutron diffraction experiments revealed that hexagonal…
The nucleation and structure of silicon nanocrystals formed by different preparation conditions and silicon concentration (28 - 70 area %) have been studied using Transmission Electron Microscopy (TEM), Energy Filtered TEM (EFTEM) and…
The adsorption/desorption of ethene (C2H4), also commonly known as ethylene, on Fe3O4(001) was studied under ultrahigh vacuum conditions using temperature programmed desorption (TPD), scanning tunneling microscopy, x-ray photoelectron…
A structural model for intermediate sized silicon clusters is proposed that is able to generate unique structures without any dangling bonds. This structural model consists of bulk-like core of five atoms surrounded by fullerene-like…
A structural model for intermediate sized silicon clusters is proposed that is able to generate unique structures without any dangling bonds. This structural model consists of bulk-like core of five atoms surrounded by fullerene-like…
We show in this paper why molecular millimeter absorption line searches in DLAs have been unsuccessful. We use CO emission line maps of local galaxies to derive the H2 column density distribution function f(N_H2) at z=0. We show that it…
We present a new analysis of an absorption system in the spectrum of Q0014+813, with particular attention to a single cold cloud at redshift $z=2.797957$. Features are identified at this redshift corresponding to SiIII, SiIV, CIV, DI, and…
The creation of magnetism on non-magnetic semiconductor surfaces is of importance for the realization of spintronics devices. Especially, the coupling of electron spins within quantum nanostructures can be utilized for nanomagnetism…
We investigate the atomic hydrogen adsorption on Mg(0001) by using density-functional theory within the generalized gradient approximation and a supercell approach. The coverage dependence of the adsorption structures and energetics is…
A class of silicon carbide cage clusters with two carbon atoms inside the silicon cage and with high stabilities are presented. The theoretical formalism used is Hartree-Fock theory followed by second order many body perturbation theory to…
A combined approach of first-principles density-functional calculations and the systematic cluster-expansion scheme is presented. The dipole, quadrupole, and Coulomb matrix elements obtained from ab initio calculations are used as an input…
We report the detection of 21-cm and H2 absorption lines in the same DLA system (log N(HI)=21.36+-0.10) at zabs=3.17447 towards SDSSJ133724+315254 (z=3.174). We estimate the spin temperature of the gas to be, Ts~600 K, intermediate between…
Oxygen molecule adsorptions on a Pu (100) surface have been studied in detail, using the generalized gradient approximation to density functional theory. Dissociative adsorption with a layer by layer alternate spin arrangement of the…
The adsorption of fluorocarbons has gained significant importance as its use as refrigerants in energy storage applications. In this context, the adsorption behavior of two low global warming potential refrigerants, R125 fluorocarbon and…