scholarly journals Geometric and Electrostatic Study of the [4Fe-4S] Cluster of Adenosine-5′-Phosphosulfate Reductase from Broken Symmetry Density Functional Calculations and Extended X-ray Absorption Fine Structure Spectroscopy

2011 ◽  
Vol 50 (14) ◽  
pp. 6610-6625 ◽  
Author(s):  
Devayani P. Bhave ◽  
Wen-Ge Han ◽  
Samuel Pazicni ◽  
James E. Penner-Hahn ◽  
Kate S. Carroll ◽  
...  
Keyword(s):  
Fine Structure ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Broken Symmetry ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

scholarly journals Extended X-ray absorption fine structure of bimetallic nanoparticles

2011 ◽  
Vol 2 ◽  
pp. 237-251 ◽  
Author(s):  
Carolin Antoniak
Keyword(s):  
Magnetic Properties ◽  
Fine Structure ◽  
Wavelet Transforms ◽  
Density Functional ◽  
Bimetallic Nanoparticles ◽  
Crystallographic Structure ◽  
Fept Nanoparticles ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

Electronic and magnetic properties strongly depend on the structure of the material, especially on the crystal symmetry and chemical environment. In nanoparticles, the break of symmetry at the surface may yield different physical properties with respect to the corresponding bulk material. A useful tool to investigate the electronic structure, magnetic behaviour and local crystallographic structure is X-ray absorption spectroscopy. In this review, recent developments in the field of extended X-ray absorption fine structure measurements and in the analysis methods for structural investigations of bimetallic nanoparticles are highlighted. The standard analysis based on Fourier transforms is compared to the relatively new field of wavelet transforms that have the potential to outperform traditional analysis, especially in bimetallic alloys. As an example, the lattice expansion and inhomogeneous alloying found in FePt nanoparticles is presented, and this is discussed below in terms of the influence of employed density functional theory calculations on the magnetic properties.

Sign in / Sign up

Export Citation Format

Share Document