Amélie Juhin

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In view of the limited oil reserves the methanol-to-olefin (MTO) process is an interesting catalytic route to provide raw materials for chemical industries. In the last decades, a vast number of studies have been devoted to increase our understanding of this important catalytic reaction leading to a consensus concerning the mechanism. Accordingly, MTO is(More)
We first present an extended introduction of the various methods used to extract electronic and structural information from the K pre-edge X-ray absorption spectra of 3d transition metal ions. The K pre-edge structure is then modelled for a selection of 3d transition metal compounds and analyzed using first-principles calculations based on the density(More)
The biomineralization of magnetite nanocrystals (called magnetosomes) by magnetotactic bacteria (MTB) has attracted intense interest in biology, geology and materials science due to the precise morphology of the particles, the chain-like assembly and their unique magnetic properties. Great efforts have been recently made in producing transition metal-doped(More)
The relation between the properties of a specific crystallographic site and the properties of the full crystal is discussed by using spherical tensors. The concept of spherical tensors is introduced and the way it transforms under the symmetry operations of the site and from site to site is described in detail. The law of spherical tensor coupling is given(More)
X-Ray Raman Spectroscopy (XRS) is used to study the electronic properties of bulk lithium borohydride (LiBH(4)) and LiBH(4) in porous carbon nano-composites (LiBH(4)/C) during dehydrogenation. The lithium (Li), boron (B) and carbon (C) K-edges are studied and compared with calculations of the starting material and intermediate compounds. Comparison of the B(More)
Theoretical predictions show that depending on the populations of the Fe 3dxy, 3dxz, and 3dyz orbitals two possible quintet states can exist for the high-spin state of the photoswitchable model system [Fe(terpy)2] . The differences in the structure and molecular properties of these B2 and E quintets are very small and pose a substantial challenge for(More)
Photomagnetism in three-dimensional Co/Fe Prussian blue analogues is a complex phenomenon, whose detailed mechanism is not yet fully understood. Recently, researchers have been able to prepare molecular fragments of these networks using a building block synthetic approach from mononuclear precursors. The main objective in this strategy is to isolate the(More)
The crystal structure of a polycrystalline knorringite, Mg3(Cr0.8Mg0.1Si0.1)2(SiO4)3, synthesized at 11 GPa and T = 1500 °C in a multi-anvil press, has been refined from high-resolution synchrotron X-ray powder diffraction data. The structure is cubic, space group Ia3d, a = 11.5935(1) Å, V = 1558.27(4) Å3, Dcalc = 3.79 g/cm3. The structural formula(More)
The structural environment of substitutional Cr ion in a natural pyrope Mg3Al2Si3O12 has been investigated by Cr K-edge Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES) coupled with first-principles computations. The Cr-O distance is close to that in knorringite Mg3Cr2Si3O12, indicating a full relaxation of(More)
Core-shell nanoparticles attract continuously growing interest due to their numerous applications, which are driven by the possibility of tuning their functionalities by adjusting structural and morphological parameters. However, despite the critical role interdiffused interfaces may have in the properties, these are usually only estimated in indirect ways.(More)