Methodological advances in multiple scattering theory (MST) in both wave and Green's function versions are reported for the calculation of electronic ground and excited state properties of condensed matter systems with an emphasis on core-level photoemission and absorption spectra. Full-potential MST is reviewed and extended to non-local potentials. Multichannel MST is reformulated in terms of ...

Spectroscopic analysis and atomic force microscopy (AFM) phase imaging studies show self-assembly of phenosafranin (PSF) to multiwalled carbon nanotubes (MWNTs). The shift in absorption spectra is associated with charge transfer of valence electrons from PSF to electron accepting sites on the MWNTs. The Raman-active disorder modes are used to fingerprint PSF attachment to MWNTs via defect state...

I . The technique of far-infrared (FIR) laser-magnetic-resonance (LMR) spectroscopy is a highly sensitive, high-resolution method for obtaining atomic and molecular spectra in the region between 40 and IO00 pm.] The high sensitivity, derived mainly from intracavity operation and high frequencies (compared with conventional microwave systems), places FIR LMR among the most sensitive absorption t...

An X-ray absorption fine structure (XAFS) spectroscopy is a powerful and useful technique to probe the local electronic structure and the local atomic structure around an absorbing atom in an unknown material [Stöhr, 1996, Ohta, 2002]. A highly bright X-ray source, synchrotron radiation (SR) is usually used for XAFS measurements to obtain reliable spectra, even for elements of very low content ...

Prediction of the soft X-ray absorption along lines of sight through our Galaxy is crucial for understanding the spectra of extragalactic sources, but requires a good estimate of the foreground column density of photoelectric absorbing species. Assuming uniform elemental abundances this reduces to having a good estimate of the total hydrogen column density, NHtot = NH I + 2NH2 . The atomic comp...

Single-molecule force spectroscopy with an atomic force microscope has been widely used to study inter- and intramolecular interactions. To obtain data consistent with single molecular events, a well-defined method is critical to limit the number of molecules at the apex of an AFM probe to one or to a few. In this paper, we demonstrate an easy method for single-molecule probe modification by us...

anzali international wetland is one of the most valuable water resources as registered in ramsar convention with an extent of about 150 km2 in the south caspian sea. this wetland, not only has ecological and biological importance for migratory birds and rare fish species, but also is used for farms to discharge into the caspian sea through this wetland. therefore its pollution control is very i...

a simple, highly sensitive, accurate and selective method for determination of trace amounts of cu2+ in water samples .in this paper, chitosan was used to encapsulate nano-fe3o4 and produce a nano-fe3o4-chitosan sorbent based new sorbent was prepared. this was treated with ethylenediamine (ed) in another solvent-free procedure for the formation of a novel nano-fe3o4-chitosan-ed.flame atomic abs...

a simple and rapid microextraction procedure based on dispersive liquid-liquid microextraction (dllme) was developed for determination and speciation of trace amounts of chromium (cr) by flame atomic absorption spectrometry (faas). in the proposed approach, chloroform and methanol were used as extraction and dispersive solvents. a new schiff's base ligand, bis(2-methoxy benzaldehyde) ethylene d...

heavy metals are highly poisonous in the environment, even in small quantities, and endanger certain species and all live beings. current methods of removing heavy metals from aqueous media include chemical sequestration, ion exchange, surface absorption, membrane processes, oxidation and revival procedures which have high investment and exploitation costs. hence, it is significantly necessary ...