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A mechanochemical route for the synthesis of VNbO5 and its structural re-investigation using structure solution from powder diffraction data
- Source :
- Dalton transactions 48(29), 10986-10995 (2019). doi:10.1039/C9DT01236B
- Publication Year :
- 2019
- Publisher :
- Royal Society of Chemistry (RSC), 2019.
-
Abstract
- Dalton transactions 48(29), 10986 - 10995 (2019). doi:10.1039/C9DT01236B<br />A new and solvent-free synthesis route has been adopted and optimized to prepare crystalline VNbO5 from the mechanochemical reaction between Nb2O5 and V2O5 as starting reagents. The substantially amorphous mixture of equimolar pentoxide V and Nb metals observed after extended mechanical treatment transforms into a crystalline powder following calcination under mild conditions at 710 K. The structure solution of the X-ray diffraction pattern using a global optimization approach, combined with Rietveld refinement, points to a space group P212121 (no. 19) different from Pnma (no. 62) previously proposed in the literature assuming it to be isostructural to VTaO5. The new space group helps to describe weak peaks that remained previously unaccounted for and allows more reliable determination of atomic fractional coordinates and interatomic distance distribution. The as-prepared VNbO5 has been tested as a dopant (5 wt%) for the purpose of solid state hydrogen storage, decreasing significantly the release of hydrogen of MgH2/Mg (620 K) and further enhancing the hydrogen sorption kinetic properties.<br />Published by Soc., London
- Subjects :
- Materials science
Dopant
Hydrogen
010405 organic chemistry
Rietveld refinement
chemistry.chemical_element
010402 general chemistry
01 natural sciences
0104 chemical sciences
law.invention
Amorphous solid
Inorganic Chemistry
Hydrogen storage
chemistry
law
ddc:540
Physical chemistry
Pentoxide
Calcination
Powder diffraction
Subjects
Details
- ISSN :
- 14779234 and 14779226
- Volume :
- 48
- Database :
- OpenAIRE
- Journal :
- Dalton Transactions
- Accession number :
- edsair.doi.dedup.....2079e6b78b79ffa9c0768576c7b0fed3