A versatile low temperature solid-state synthesis of vanadium nitride (VN) via a "guanidinium-route": experimental and theoretical studies from the key-intermediate to the final product

Eugenio Furtado de Souza; Carlos Alberto Chagas; Teodorico C Ramalho; Ricardo Bicca de Alencastro

doi:10.1039/c2dt31614e

A versatile low temperature solid-state synthesis of vanadium nitride (VN) via a "guanidinium-route": experimental and theoretical studies from the key-intermediate to the final product

Dalton Trans. 2012 Dec 21;41(47):14381-90. doi: 10.1039/c2dt31614e.

Authors

Eugenio Furtado de Souza¹, Carlos Alberto Chagas, Teodorico C Ramalho, Ricardo Bicca de Alencastro

Affiliation

¹ Laboratorio de Modelagem Molecular-LABMMOL, Instituto de Química, Universidade Federal do Rio de Janeiro, Av. Athos da Silveira Ramos No 149, CT, Bloco A, sala 609, 21941-909, Rio de Janeiro-RJ. eugeniofs@iq.ufrj.br

PMID: 23047233
DOI: 10.1039/c2dt31614e

Abstract

An easy and efficient method ("guanidinium route") to synthesize vanadium nitride (VN) is evaluated in this paper. Initially, ammonium m-vanadate was mixed with guanidinium carbonate, producing an important intermediate, ammonium m-vanadate (GmV), through a solid-state reaction. GmV was decomposed as a function of the temperature and studied with TGA, DRX, FT-Infrared, Temperature-Programmed Surface Reaction (TPSR) and DFT. We show that GmV is transformed into bulk crystalline VN below 800 °C. XPS, periodic DFT calculations, and elemental analyses show that the surface is not carbon-free.