Structural hierarchy of NH4V3O7 particles prepared under hydrothermal conditions

G. S. Zakharova – Institute of Solid State Chemistry UB RAS, Ekaterinburg, Russia; Kirchhoff Institute for Physics, University of Heidelberg, Germany
Y. Liu – Institute of Materials Science and Engineering, Wuhan University of Technology, PR China
I. S. Popov – Institute of Solid State Chemistry UB RAS, Ekaterinburg, Russia
A. N. Enyashin – Institute of Solid State Chemistry UB RAS, Ekaterinburg, Russia; enyashin@ihim.uran.ru

Despite having simple stoichiometry, NH4V3O7 still remains an odd compound with poorly resolved structure among the series of known ammonium vanadates. Here, a new hydrothermal synthesis of the product with explicit NH4V3O7 stoichiometry is evaluated. Intricate microstructure of the product is revealed as an aggregate of spherical microparticles consisting of microplatelets via scanning electron microscopy. To further guide the characterization of the NH4V3O7 phase, X-ray diffraction analysis and first-principle calculations were carried out to refine the structure at an atomistic level and to predict electronic properties. The results suggest a complex structural hierarchy with consequent nanodomain organization of prepared NH4V3O7 microplatelets.

Keywords: Ammonium vanadates, Hydrothermal synthesis, Microplatelets, Nanodomains, DFT calculations.

PACS 61.50.Ah, 61.72.Hh, 71.20.Ps

DOI 10.17586/2220-8054-2015-6-4-583-592


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