Please use this identifier to cite or link to this item:
Title: Li+ ion conductivity and diffusion mechanism in α-Li 3N and β-Li3N
Authors: Li, W. 
Wu, G.
Araújo, C.M.
Scheicher, R.H.
Blomqvist, A.
Ahuja, R.
Xiong, Z.
Feng, Y. 
Chen, P.
Issue Date: Oct-2010
Citation: Li, W., Wu, G., Araújo, C.M., Scheicher, R.H., Blomqvist, A., Ahuja, R., Xiong, Z., Feng, Y., Chen, P. (2010-10). Li+ ion conductivity and diffusion mechanism in α-Li 3N and β-Li3N. Energy and Environmental Science 3 (10) : 1524-1530. ScholarBank@NUS Repository.
Abstract: β-Li3N of hexagonal D4 6h (P6 3/mmc) structure was synthesized by high-energy ball milling commercial Li3N (composed of both α and β phases). Ionic conductivities of α-Li3N and β-Li3N were tested by direct current (D.C.) and alternating current (A.C.) impedance methods. β-Li3N exhibited the same order of magnitude of Li+ ion conductivity (2.085 × 10-4 S cm-1) as that of α-Li3N (5.767 × 10-4 S cm-1) at room temperature. First-principles calculations were employed to simulate the diffusion mechanism of Li+ ion in α-Li3N and β-Li3N. Our results indicate that the diffusion of Li + ion in β-Li3N likely occurs between pure Li β(1) planes, which is different from that in α-Li 3N, where the diffusion of Li+ ion occurs within Li 2N plane. The Li+ ion migration energy barriers (E m) for α-Li3N and β-Li3N are 0.007 eV and 0.038 eV, respectively. © 2010 The Royal Society of Chemistry.
Source Title: Energy and Environmental Science
ISSN: 17545692
DOI: 10.1039/c0ee00052c
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.


checked on Apr 3, 2020


checked on Mar 18, 2020

Page view(s)

checked on Mar 29, 2020

Google ScholarTM



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.