相关论文: Effect of Na(I) on Bioavailability for Cr(VI)_ and…
The upconversion process for the $Er^{3+}$ ion, when irradiated with IR photons at 980 nm, strongly depends upon the presence of the sensitizer $Yb^{3+}$ ions. There are many studies analyzing the properties of the upconversion process for…
The adsorption of carbon monoxide on neutral iridium clusters in the size range of n = 3 to 21 atoms is investigated with infrared multiple photon dissociation spectroscopy. For each cluster size only a single v(CO) band is present with…
We present a detailed analysis of 99 optically thin C III absorption systems at redshift, $0.2 \le z \le 0.9$ associated with neutral hydrogen column densities in the range, $15 \le {\rm log}$ $N_{\rm H\,I}$ ($cm^{-2}$) $\le 16.2$. Using…
Understanding the processes which create and destroy $^{22}$Na is important for diagnosing classical nova outbursts. Conventional $^{22}$Na(p,$\gamma$) studies are complicated by the need to employ radioactive targets. In contrast, we have…
The influence of electrostatic interactions on the ordering of sodium ions in Na$_x$CoO$_2$ is studied theoretically through Monte-Carlo simulations. For large $x$ small di- or tri-vacancy clusters are stable with respect to isolated Na…
The dissolution of NaCl in water is one of the most common everyday processes, yet it remains poorly understood at the molecular level. Here we report the results of an extensive density functional theory study in which the initial stages…
Our study of the adsorption of oxygen molecules on individual semiconductiong single-walled carbon nanotubes at ambient conditions reveals that the adsorption is physisorption, that the resistance without O2 increases by ~two orders of…
The dielectric function of alpha'-Na(1-x)Ca(x)V2O5 (0 < x < 20%) was measured for the a and b axes in the photon energy range 0.8-4.5 eV at room temperature. By varying the Ca-concentration we control the relative abundancy of V4+ and V5+.…
In this research, eutectic-based ionic liquid specifically choline chloride/glycerol was prepared at a 1:2 mole ratio. The choline chloride/glycerol was added with the different content of surfactant (hexadecyltrimethylammonium bromide).…
The resistivity and thermopower of Na$_{1+x}$Co$_2$O$_4$ and Na$_{1.1-x}$Ca$_x$Co$_2$O$_4$ are measured and analyzed. In Na$_{1+x}$Co$_2$O$_4$, whereas the resistivity increases with $x$, the thermopower is nearly independent of $x$. This…
We report an unexpectedly strong and complex chemical bonding of rare-gas atoms to neutral gold clusters. The bonding features are consistently reproduced at different levels of approximation within density-functional theory and beyond:…
Microbial colonies cultured on agar Petri dishes have become a model system to study biological evolution in populations expanding in space. Processes such as clonal segregation and gene surfing have been shown to be affected by…
We present a study of the adsorption and diffusion of CH4, CO2 and H2 molecules in clathrate hydrates using ab initio van der Waals density functional formalism [Dion et al. Phys. Rev. Lett. 92, 246401 (2004)]. We find that the adsorption…
Ion transport in highly-confined space is important to various applications, such as biosensing and seawater desalination with nanopores. All-atom molecular dynamics simulations are conducted to investigate the transport of Na$^+$ and…
Compressibility of high-purity nanostructured cBN has been studied under quasi-hydrostatic conditions at 300 K up to 35 GPa using diamond anvil cell and angle-dispersive synchrotron X-ray powder diffraction. A data fit to the Vinet equation…
We investigate the binding nature of the endohedral sodium atoms with the ensity functional theory methods, presuming that the clathrate I consists of a sheaf of one-dimensional connections of Na@Si$_{24}$ cages interleaved in three…
X-ray powder diffraction using a synchrotron light source reveals significant modifications to both morphology and strain state in Palladium nanocubes after oxidation. Short-range strain measured by the static component of the Debye-Waller…
Nucleation and growth of crystal in an oxide glass was studied in a Si B Al Zr Nd Ca Na O system. The nucleation and growth process was monitored by thermal analysis and isothermal experiments. For the Ca sample the crystallization is…
Solid mineral-based particles have been proposed as alternatives to sulfates for climate intervention by stratospheric aerosol injection, as a means for improving optical or chemical characteristics and thereby minimize risks and…
We present a comparative ab initio computational study of sodium and lithium storage in amorphous (glassy) carbon (a-C) vs. graphite. Amorphous structures are obtained by fitting stochastically generated structures to a reference radial…