Mechanism of enhanced ionic conductivity by rotational nitrite group in antiperovskite Na<sub>3</sub>ONO<sub>2</sub>
Lei Gao, Hao Zhang, Yuechao Wang, Shuai Li, Ruo Zhao, Yonggang Wang, Song Gao, Lunhua He, Haifeng Song, Ruqiang Zou, Yusheng Zhao
Abstract
Rietveld refinement based on the neutron powder diffraction and DFT calculations revealed the influence of NO<sub>2</sub><sup>−</sup> group on the ionic conductivity of Na<sub>3</sub>ONO<sub>2</sub>.
Topics & Concepts
AntiperovskiteRietveld refinementNeutron diffractionIonic conductivityGroup (periodic table)Materials scienceConductivityCrystallographyInorganic chemistryIonic bondingChemistryPhysical chemistryIonCrystal structureNanotechnologyLayer (electronics)ElectrolyteOrganic chemistryElectrodeNitrideAdvanced Battery Materials and TechnologiesThermal Expansion and Ionic ConductivityPerovskite Materials and Applications