| People | Locations | Statistics |
|---|---|---|
| Naji, M. |
| |
| Motta, Antonella |
| |
| Aletan, Dirar |
| |
| Mohamed, Tarek |
| |
| Ertürk, Emre |
| |
| Taccardi, Nicola |
| |
| Kononenko, Denys |
| |
| Petrov, R. H. | Madrid |
|
| Alshaaer, Mazen | Brussels |
|
| Bih, L. |
| |
| Casati, R. |
| |
| Muller, Hermance |
| |
| Kočí, Jan | Prague |
|
| Šuljagić, Marija |
| |
| Kalteremidou, Kalliopi-Artemi | Brussels |
|
| Azam, Siraj |
| |
| Ospanova, Alyiya |
| |
| Blanpain, Bart |
| |
| Ali, M. A. |
| |
| Popa, V. |
| |
| Rančić, M. |
| |
| Ollier, Nadège |
| |
| Azevedo, Nuno Monteiro |
| |
| Landes, Michael |
| |
| Rignanese, Gian-Marco |
|
Villesuzanne, Antoine
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (21/21 displayed)
- 2024Ru/CeTX (T = Ti, Sc; X = Ge, Si) intermetallic catalysts for NH3 synthesis at low temperature (300 °C): insight into formulation and related mechanisms
- 2023CeScSi-type intermetallics: Modulation of magnetic properties through light elements insertion and catalysis of ammonia
- 2023Impact of anionic ordering on the iron site distribution and valence states in oxyfluoride Sr2FeO3+xF1–x (x = 0.08, 0.2) with a layered perovskite networkcitations
- 2023Influence of the rare earth (R) element in Ru-supported RScSi electride-like intermetallic catalysts for ammonia synthesis at low pressure: insight into NH3 formation mechanismcitations
- 2023Electride intermetallics RScSi (R= rare-earth): Insertion of light elements and ammonia catalytic synthesis
- 2020Are superconductivity mechanisms a matter for chemists?citations
- 2020Are Superconductivity Mechanisms a Matter for Chemists?citations
- 2019Effect of carbon insertion on the structural and magnetic properties of NdScSicitations
- 2018Hydrogen insertion in the intermetallic GdScGe: a drastic reduction of the dimensionality of the magnetic and transport propertiescitations
- 2018(Nd/Pr)2NiO4+δ: reaction intermediates and redox behavior explored by in situ neutron powder diffraction during electrochemical oxygen intercalationcitations
- 2018Molecular-dynamics simulations of binary Pd-Si metal alloys: Glass formation, crystallisation and cluster propertiescitations
- 2017Presence of Peierls pairing and absence of insulator-to-metal transition in VO2 (A): a structure-property relationship study.citations
- 2015Structurally restricted phase transitions in VO2(B) and their impact on transport propertiescitations
- 2010Condensed [OPr<sub>4</sub>]<sup>10+</sup> and Discrete [AsO<sub>3</sub>]<sup>3–Ψ1</sup>-Tetrahedra in Pr<sub>5</sub>O<sub>4</sub>Cl[AsO<sub>3</sub>]<sub>2</sub>citations
- 2007First principles study of the electronic and magnetic structures of the tetragonal and orthorhombic phases of Ca3Mn2O7citations
- 2006First principles study of the electronic and magnetic structures of the tetragonal and orthorhombic phases of Ca3Mn2O7citations
- 2005Unpaired spin populations and spin-pairing tendencies of the nonequivalent vanadium sites of the magnetic metal NaV6O11 investigated by electronic band structure calculations and spin dimer analysiscitations
- 2005Observation of unusual hysteretic magnetic properties of the rare earth intermetallic compound PrMnSi2: magnetic susceptibility, magnetization, heat capacity, and electronic band structure studies.citations
- 2005Comparative electronic band structure study of the intrachain ferromagnetic versus antiferromagnetic coupling in the magnetic oxides Ca3Co2O6 and Ca3FeRhO6citations
- 2005Large negative magnetoresistance of the rare-earth transition-metal intermetallic compound PrMnSi2citations
- 2002Effect of metal-oxygen covalent bonding on the competition between Jahn-Teller distortion and charge disproportionation in the perovskites of high-spin d(4) metal ions LaMnO(3) and CaFeO(3).citations
Places of action
| Organizations | Location | People |
|---|
article
Condensed [OPr<sub>4</sub>]<sup>10+</sup> and Discrete [AsO<sub>3</sub>]<sup>3–Ψ1</sup>-Tetrahedra in Pr<sub>5</sub>O<sub>4</sub>Cl[AsO<sub>3</sub>]<sub>2</sub>
Abstract
<jats:p>The oxide chloride arsenite Pr<jats:sub>5</jats:sub>O<jats:sub>4</jats:sub>Cl[AsO<jats:sub>3</jats:sub>]<jats:sub>2</jats:sub> was obtained as green crystals as a by-product of the synthesis of PrOTAs oxide arsenides (T = late transition metal), starting from Pr<jats:sub>6</jats:sub>O<jats:sub>11</jats:sub>, a transition metal oxide, arsenic, and an NaCl/KCl flux. Pr<jats:sub>5</jats:sub>O<jats:sub>4</jats:sub>Cl[AsO<jats:sub>3</jats:sub>]<jats:sub>2</jats:sub> crystallizes with the monoclinic Nd<jats:sub>5</jats:sub>O<jats:sub>4</jats:sub>Cl[AsO<jats:sub>3</jats:sub>]<jats:sub>2</jats:sub>-type structure, space group C2/m. The structure was refined from single-crystal diffractometer data: a = 12.4943(15), b = 5.6884(13) c = 9.0776(19) Å , β = 116.61(1)°, R(F) = 0.0264, wR(F<jats:sup>2</jats:sup>) = 0.0509, 542 F<jats:sup>2</jats:sup> values, and 52 variables. It is built up from corrugated layers of edge- and corner-sharing [OPr<jats:sub>4</jats:sub>]<jats:sup>10+</jats:sup> tetrahedra, which are connected via chloride anions. The space between the layers is filled by these Cl<jats:sup>−</jats:sup> and discrete arsenite anions [AsO<jats:sub>3</jats:sub>]<jats:sup>3−</jats:sup> with lone pairs pointing towards each other. The network of condensed [OPr<jats:sub>4</jats:sub>]<jats:sup>10+</jats:sup> tetrahedra is compared with the different arrays in the oxide pnictides α-PrOZnP, and in β -PrOZnP. Arsenic lone pair energy bands, main interactions, and the spatial distribution were identified precisely using density functional theory (DFT). Among the three crystallographically different sites for praseodymium, one was found non-magnetic in these calculations.</jats:p>