A Combined Experimental and Theoretical Study on the Formation of Crystalline Vanadium Nitride (VN) in Low Temperature through a Fully Solid-State Synthesis Route

摘要: An efficient method of synthesis the vanadium nitride (VN) at low temperature is evaluated, and a mechanism for crystallization process proposed in this paper. From mixture ammonium m-vanadate with guanidinium carbonate an intermediate, (GmV), produced. GmV decomposed underwent interesting structural transformations increasing temperatures. This studied by theoretical (periodic DFT calculations) experimental (51V MAS NMR, XRD, FTIR, elemental analysis) methods. It that first into reactive species, then through solid-state it converted oxynitride (VOxN1–x) varying stoichiometry, and, last, transforms itself crystalline NaCl-type structure nitride. The calculations show transformation energetically favorable, formation VOxN1–x solid solution feasible.