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Title: Jahn–Teller Assisted Na Diffusion for High Performance Na Ion Batteries

Abstract

Na energy storage technology is strategically attractive for large scale applications such as grid energy storage. Here, we show in this paper that there is a clear relation between the Jahn$-$Teller activity of a transition metal ion at the end of charge and the mobility of Na in a cathode material. This is particularly important as mobility at the end of charge limits the capacity of current materials. Consequently, by using this classical piece of physics in the battery world, it is possible to create higher capacity Na-cathode materials. Even more exciting is that the ideal element to impart this effect on cathodes is Fe, which is the least expensive of the transition metal oxides and can therefore enable low cost cathode materials.

Authors:
 [1];  [2];  [3];  [2];  [4];  [5]
  1. Harvard Univ., Cambridge, MA (United States). John A. Paulson School of Engineering and Applied Sciences
  2. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
  3. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering
  4. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Dept. of Materials Science and Engineering
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Dept. of Materials Science and Engineering; Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1347026
DOE Contract Number:
AC02-06CH11357
Resource Type:
Journal Article
Resource Relation:
Journal Name: Chemistry of Materials; Journal Volume: 28; Journal Issue: 18
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Li, Xin, Wang, Yan, Wu, Di, Liu, Lei, Bo, Shou-Hang, and Ceder, Gerbrand. Jahn–Teller Assisted Na Diffusion for High Performance Na Ion Batteries. United States: N. p., 2016. Web. doi:10.1021/acs.chemmater.6b02440.
Li, Xin, Wang, Yan, Wu, Di, Liu, Lei, Bo, Shou-Hang, & Ceder, Gerbrand. Jahn–Teller Assisted Na Diffusion for High Performance Na Ion Batteries. United States. doi:10.1021/acs.chemmater.6b02440.
Li, Xin, Wang, Yan, Wu, Di, Liu, Lei, Bo, Shou-Hang, and Ceder, Gerbrand. 2016. "Jahn–Teller Assisted Na Diffusion for High Performance Na Ion Batteries". United States. doi:10.1021/acs.chemmater.6b02440.
@article{osti_1347026,
title = {Jahn–Teller Assisted Na Diffusion for High Performance Na Ion Batteries},
author = {Li, Xin and Wang, Yan and Wu, Di and Liu, Lei and Bo, Shou-Hang and Ceder, Gerbrand},
abstractNote = {Na energy storage technology is strategically attractive for large scale applications such as grid energy storage. Here, we show in this paper that there is a clear relation between the Jahn$-$Teller activity of a transition metal ion at the end of charge and the mobility of Na in a cathode material. This is particularly important as mobility at the end of charge limits the capacity of current materials. Consequently, by using this classical piece of physics in the battery world, it is possible to create higher capacity Na-cathode materials. Even more exciting is that the ideal element to impart this effect on cathodes is Fe, which is the least expensive of the transition metal oxides and can therefore enable low cost cathode materials.},
doi = {10.1021/acs.chemmater.6b02440},
journal = {Chemistry of Materials},
number = 18,
volume = 28,
place = {United States},
year = 2016,
month = 8
}
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  • The vibronic problems appearing in manifolds of the electronic terms of C{sub 60} anions are studied. It is shown that the vibronic coupling of the t{sub 1u} molecular orbital with the h{sub g} vibrations induces pseudo-Jahn-Teller and Jahn-Teller coupling within the electronic terms. The resulting vibronic distortions are determined by the interplay of interelectronic and vibronic interactions. In certain cases the vibronic interaction of excited electronic terms can change the spin multiplicity of the ground state. 31 refs.
  • In this work we investigate the variation of the local structure around Cu{sup 2+} as well as the crystal structure in Rb{sub 2}CuCl{sub 4}(H{sub 2}O){sub 2} through x-ray absorption spectroscopy (XAS) and x-ray diffraction (XRD) as a function of pressure. We show that the application of pressure induces a local structural change in the Jahn-Teller (JT) CuCl{sub 4}(H{sub 2}O){sub 2}{sup 2-} complex from an axially elongated complex to a compressed one, yielding disappearance of the JT distortion related to the four in-plane Cl{sup -} ligands, which are responsible for the antiferrodistortive structure displayed by the crystal at ambient pressure. Accordingmore » to the Pseudo-Jahn-Teller (PJT) theory (electron-phonon coupling Exe), the presence of water ligands enhances the JT release at pressures well below the metallization pressure. The results are compared with recent pressure experiments on A{sub 2}CuCl{sub 4} layered perovskites and heteronuclear CuCl{sub 4}L{sub 2} complex series, L :Cl{yields}H{sub 2}O{yields}NH{sub 3}, and explained on the basis of the PJT model.« less
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