Structural, electronic properties of microscale (NH4)2V3O8 fabricated using a novel preparation method

Autor: Quanyao Zhu, N.A. Zhuravlev, Yueli Liu, R.S. Gorodetsky, Andrey N. Enyashin, M. V. Kuznetsov, N. V. Podval’naya, Galina S. Zakharova
Rok vydání: 2017
Předmět:
Zdroj: Journal of Physics and Chemistry of Solids. 101:58-64
ISSN: 0022-3697
DOI: 10.1016/j.jpcs.2016.10.011
Popis: A new method has been developed for the synthesis of diammonium trivanadate (NH 4 ) 2 V 3 O 8 . Single crystals of (NH 4 ) 2 V 3 O 8 were synthesized on a large scale by a soft base hydrolysis of NH 4 VO 3 in NH 4 OH solution in the presence of VOSO 4 ·3H 2 O. The effects of vanadium(V) concentration, pH value on the product morphology and phase composition were investigated. The formation mechanism of (NH 4 ) 2 V 3 O 8 was suggested. The samples were characterized using combination of techniques including X-ray diffraction, scanning electron microscopy, X-ray photoelectron spectroscopy, nuclear magnetic spectroscopy, nitrogen adsorption/desorption isotherms, and thermal analysis. Electronic structure, chemical bonding and adsorption properties of the bulk compound and (001) surface were analyzed by means of DFT calculations.
Databáze: OpenAIRE