Results 171 to 180 of about 9,887 (194)

New developments in NEXAFS/EXAFS theory

Catalysis Today, 1998
Abstract Recent advances in the theory of X-ray absorption fine structure (XAFS) are reviewed. Modern ab initio multiple-scattering (MS) calculations now provide an accurate, unified treatment of XAFS, encompassing both EXAFS (extended-XAFS), NEXAFS (near-edge XAFS) and XANES (X-ray absorption near-edge structure).
J.J. Rehr, A. Ankudinov, S.I. Zabinsky
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NEXAFS study of 2LiF–MgB2 composite

International Journal of Hydrogen Energy, 2012
Abstract Synthesis of lithium borohydridofluorides may pave a new way to pursue improved hydrogen storage properties of LiBH 4 as reversible hydrogen storage materials that fit the fuel cell application. The main products of the hydrogen absorption by 2LiF–MgB 2 composite are MgF 2 and LiBH 4 .
I. Saldan, J.M. Ramallo-López, F.G. Requejo, K. Suarez-Alcantara, J. Bellosta von Colbe, J. Avila   +5 more
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NMR and NEXAFS Study of Various Graphite Fluorides

The Journal of Physical Chemistry C, 2013
Graphite fluorides with different structural types (CyF)n (y = 2.5, 2, and 1) and room temperature graphite fluorides were studied by solid state NMR and NEXAFS. Data extracted from those two techniques are complementary, providing information about the C-F bonding and the hybridization character of the carbon atom valence states.
Ahmad, Yasser, Dubois, M., Guérin, K., Hamwi, A., Fawal, Z., P. Kharitonov, A., V. Generalov, A., Yu. Klyushin, A., A. Simonov, K., Vinogradov, N.A., A. Zhdanov, I., B. Preobrajenski, A., S. Vinogradov, A.   +12 more
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PEEM and μ-NEXAFS of CuInS2-surfaces

Thin Solid Films, 2003
Abstract Polycrystalline CuInS 2 samples are an ideal system for photoemission electron microscope studies. The polycrystalline grains have a diameter of approximately 5 μm and the system is expected to be highly inhomogeneous because of the existence of many sub-phases.
K. Müller, Y. Burkov, D. Schmeißer
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Calculations of NEXAFS Spectra of Substituted Benzenes

Le Journal de Physique IV, 1997
We examine the role of substituent strengths and positions for NEXAFS spectra of substituted benzenes by means of static exchange calculations on aniline, phenol, fluorobenzene, and terephthalaldehyde. Chemical shifts and intensities of the ls → π* excitations are found to be closely related to the electronegative character of the substituent group ...
L. Yang, O. Plachkevytch, H. Ågren, L. G.M. Pettersson   +3 more
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Selected Applications of NEXAFS

1992
Here we discuss selected examples of how NEXAFS has been used to obtain information on the electronic and crystallographic structure of molecular adsorption systems. Our examples cover a wide range of molecular adsorption energies, from weak van-der-Waals like interactions to strong chemical bonds, and address a diversity of molecules, ranging from ...
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NEXAFS investigations of cyclooctatetraene on TiO2(001)

Surface Science, 2001
Abstract Near-edge X-ray absorption fine structure (NEXAFS) was used to examine the nature of the adsorbed intermediate in the ring contraction of cyclooctatetraene (COT) to form benzene. Formation of aromatics by alkyne cyclotrimerization has been proposed to occur via a metallacyclopentadiene intermediate, and the chemistry of COT on reduced TiO 2
A.B Sherrill, J.W Medlin, J.G Chen, M.A Barteau   +3 more
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Calibrated NEXAFS spectra of some common polymers

Journal of Electron Spectroscopy and Related Phenomena, 2003
Abstract Near edge X-ray absorption fine structure (NEXAFS) microscopy has evolved into a powerful characterization tool for polymeric materials. The foundation of this utility depends crucially on the sensitivity of NEXAFS to the specific chemical structure of the polymer.
O Dhez, H Ade, S.G Urquhart
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NEXAFS study of electron beam irradiated PET

International Journal of Nanotechnology, 2014
One of the most promising methods for surface property modification is electron beam irradiation, which can create new chemical groups on surfaces. In this study we investigated the surface functionalisation of polyethylene terephthalate (PET), a commonly used polymer material with many applications.
Ki jeong Kim, Bongsoo Kim
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Determination of the Electron Escape Depth for NEXAFS Spectroscopy

Langmuir, 2009
A novel method was developed to determine carbon atom density as a function of depth by analyzing the postedge signal in near-edge X-ray absorption fine structure (NEXAFS) spectra. We show that the common assumption in the analysis of NEXAFS data from polymer films, namely, that the carbon atom density is constant as a function of depth, is not valid ...
K E, Sohn, M D, Dimitriou, J, Genzer, D A, Fischer, C J, Hawker, E J, Kramer   +5 more
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