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arXiv:1902.04906v1 [physics.chem-ph] 13 Feb 20191Ef f i cient Simulation of Near-Edge X-ray Absorption Fine Structure(NEXAFS) in Density-Functional Theory: Comparison of Core-LevelConstraining ApproachesGeorg S. Michelitsch 1 and Karsten Reuter 1Chair for Theoretical Chemistry and Catalysis Resear...
X-ray absorption near edge structure 英 [eks reɪ əbˈzɔːpʃn nɪə(r) edʒ ˈstrʌktʃə(r)] 美 [eks reɪ əbˈzɔːrpʃn nɪr edʒ ˈstrʌ...
To understand their structure–property relationships fully, quantitative compositional analysis at length scales below 100 nm is required, a need that is often uniquely addressed using soft X-ray microscopy. Similarly, the interaction of X-rays with magnetic materials provides unique element-specific ...
near-edge X-ray absorption fine structure size 300 nm C TiN/ A7870D X-ray absorption and absorption edges (condensed matter) A7115M Density functional theory, local density approximation (condensed matter electronic structure) A7125X Electronic structure of fullerenes and fullerene-related materials ...
The first-principles band structure calculations are carried out to interpret the spectral fine structure of the near-edge X-ray absorption fine structure (NEXAFS) spectrum of PdO at the O K-edge by the full-potential augmented plane wave plus local orbitals (APW+lo) method. The observed NEXAF...
X ray structure analysis 【化】 X射线结构分析 extended X ray absorption fine structure 【化】 广延X射线吸收精细结构; 延伸X射线吸收精细结构 X ray absorption 【化】 X射线吸收 X ray analysis 爱克斯光分析 x ray absorption fine structure spectroscopy (xafs) X-射线吸收精细结构光谱 extended x...
X-ray absorption near-edge structure of hexagonal ternary phases in sputter-deposited TiAlN films. J. Alloys Compd. 561, 87-94 (2013).X-ray absorption near-edge structure of hexagonalternary phases in sputter-deposited TiAlN films. Gago R,Soldera F,Hübner R. et al. Journal of Alloys and...
X-ray anomalous scattering on the superconducting ortho-II phase of YBa$_2$Cu$_3$O$_{6.51}$ These displacements are confirmed by anomalous scattering near the Ba K-absorption edge observed by synchrotron X-ray diffraction on a YBa 2 Cu 3 O 6.51... T Zeiske,D Hohlwein,R Sonntag,......
X-ray absorption (near-edge and extended fine structure) along with diffuse reflectance infrared spectroscopy and other techniques are used to characterize... JM Thomas,Y Xu,CRA Catlow,... - 《Cheminform》 被引量: 129发表: 1991年 B,DandKdecays near edge X-ray absorption fine structure (NEXA...