Niobium(V) Oxynitride: Synthesis, Characterization, and Feasibility as Anode Material for Rechargeable Lithium‐Ion Batteries | Zendy

Wang XiaoJun | Zendy; Krumeich Frank | Zendy; Wörle Michael | Zendy; Nesper Reinhard | Zendy; Jantsky Laurent | Zendy; Fjellvåg Helmer | Zendy

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Niobium(V) Oxynitride: Synthesis, Characterization, and Feasibility as Anode Material for Rechargeable Lithium‐Ion Batteries

Author(s) -

Wang XiaoJun,

Krumeich Frank,

Wörle Michael,

Nesper Reinhard,

Jantsky Laurent,

Fjellvåg Helmer

Publication year - 2012

Publication title -

chemistry – a european journal

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.687

H-Index - 242

eISSN - 1521-3765

pISSN - 0947-6539

DOI - 10.1002/chem.201102653

Subject(s) - niobium , thermogravimetric analysis , materials science , lithium (medication) , anode , natural bond orbital , thermal decomposition , neutron diffraction , rietveld refinement , powder diffraction , differential thermal analysis , niobium pentoxide , thermal stability , inorganic chemistry , analytical chemistry (journal) , chemical engineering , crystallography , chemistry , diffraction , crystal structure , metallurgy , electrode , endocrinology , optics , engineering , chromatography , medicine , physics , organic chemistry , density functional theory , computational chemistry

The decomposition reaction of niobium(V) oxytrichloride ammoniate to the oxynitride of niobium in the 5+ oxidation state was developed in a methodological way. By combining elemental analysis, Rietveld refinements of X‐ray and neutron diffraction data, SEM and TEM, the sample compound was identified as approximately 5 nm‐diameter particles of NbO 1.3(1) N 0.7(1) crystallizing with baddeleyite‐type structure. The thermal stability of this compound was studied in detail by thermogravimetric/differential thermal analysis and temperature‐dependent X‐ray diffraction. Moreover, the electrochemical uptake and release by the galvanostatic cycling method of pure and carbon‐coated NbO 1.3(1) N 0.7(1) versus lithium was investigated as an example of an Li‐free transition‐metal oxynitride. The results showed that reversible capacities as high as 250 and 80 A h kg −1 can be reached in voltage ranges of 0.05–3 and 1–3 V, respectively. Furthermore, a plausible mechanism for the charge–discharge reaction is proposed.

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