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Title: The influence of large cations on the electrochemical properties of tunnel-structured metal oxides

Abstract

Metal oxides with a tunnelled structure are attractive as charge storage materials for rechargeable batteries and supercapacitors, since the tunnels enable fast reversible insertion/extraction of charge carriers (for example, lithium ions). Common synthesis methods can introduce large cations such as potassium, barium and ammonium ions into the tunnels, but how these cations affect charge storage performance is not fully understood. Here, we report the role of tunnel cations in governing the electrochemical properties of electrode materials by focusing on potassium ions in alpha-MnO 2. We show that the presence of cations inside 2 x 2 tunnels of manganese dioxide increases the electronic conductivity, and improves lithium ion diffusivity. In addition, transmission electron microscopy analysis indicates that the tunnels remain intact whether cations are present in the tunnels or not. Our systematic study shows that cation addition to alpha-MnO 2 has a strong beneficial effect on the electrochemical performance of this material.

Authors:
 [1];  [2];  [3];  [4];  [5];  [3];  [3];  [2];  [6];  [2];  [2];  [4];  [2];  [4];  [2];  [7]
  1. Michigan Technological Univ., Houghton, MI (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States)
  3. Univ. of Illinois, Chicago, IL (United States)
  4. Univ. of Bath (United Kingdom)
  5. Michigan Technological Univ., Houghton, MI (United States)
  6. Univ. of Illinois, Chicago, IL (United States); Shanghai Univ. (China)
  7. Univ. of Illinois, Chicago, IL (United States); Michigan Technological Univ., Houghton, MI (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
National Science Foundation (NSF); USDOE Office of Science - Energy Frontier Research Center - Center for Electrical Energy Storage; Engineering and Physical Sciences Research Council (EPSRC)
OSTI Identifier:
1529956
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 7; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Yuan, Yifei, Zhan, Chun, He, Kun, Chen, Hungru, Yao, Wentao, Sharifi-Asl, Soroosh, Song, Boao, Yang, Zhenzhen, Nie, Anmin, Luo, Xiangyi, Wang, Hao, Wood, Stephen M., Amine, Khalil, Islam, M. Saiful, Lu, Jun, and Shahbazian-Yassar, Reza. The influence of large cations on the electrochemical properties of tunnel-structured metal oxides. United States: N. p., 2016. Web. doi:10.1038/ncomms13374.
Yuan, Yifei, Zhan, Chun, He, Kun, Chen, Hungru, Yao, Wentao, Sharifi-Asl, Soroosh, Song, Boao, Yang, Zhenzhen, Nie, Anmin, Luo, Xiangyi, Wang, Hao, Wood, Stephen M., Amine, Khalil, Islam, M. Saiful, Lu, Jun, & Shahbazian-Yassar, Reza. The influence of large cations on the electrochemical properties of tunnel-structured metal oxides. United States. doi:10.1038/ncomms13374.
Yuan, Yifei, Zhan, Chun, He, Kun, Chen, Hungru, Yao, Wentao, Sharifi-Asl, Soroosh, Song, Boao, Yang, Zhenzhen, Nie, Anmin, Luo, Xiangyi, Wang, Hao, Wood, Stephen M., Amine, Khalil, Islam, M. Saiful, Lu, Jun, and Shahbazian-Yassar, Reza. Mon . "The influence of large cations on the electrochemical properties of tunnel-structured metal oxides". United States. doi:10.1038/ncomms13374. https://www.osti.gov/servlets/purl/1529956.
@article{osti_1529956,
title = {The influence of large cations on the electrochemical properties of tunnel-structured metal oxides},
author = {Yuan, Yifei and Zhan, Chun and He, Kun and Chen, Hungru and Yao, Wentao and Sharifi-Asl, Soroosh and Song, Boao and Yang, Zhenzhen and Nie, Anmin and Luo, Xiangyi and Wang, Hao and Wood, Stephen M. and Amine, Khalil and Islam, M. Saiful and Lu, Jun and Shahbazian-Yassar, Reza},
abstractNote = {Metal oxides with a tunnelled structure are attractive as charge storage materials for rechargeable batteries and supercapacitors, since the tunnels enable fast reversible insertion/extraction of charge carriers (for example, lithium ions). Common synthesis methods can introduce large cations such as potassium, barium and ammonium ions into the tunnels, but how these cations affect charge storage performance is not fully understood. Here, we report the role of tunnel cations in governing the electrochemical properties of electrode materials by focusing on potassium ions in alpha-MnO2. We show that the presence of cations inside 2 x 2 tunnels of manganese dioxide increases the electronic conductivity, and improves lithium ion diffusivity. In addition, transmission electron microscopy analysis indicates that the tunnels remain intact whether cations are present in the tunnels or not. Our systematic study shows that cation addition to alpha-MnO2 has a strong beneficial effect on the electrochemical performance of this material.},
doi = {10.1038/ncomms13374},
journal = {Nature Communications},
number = 1,
volume = 7,
place = {United States},
year = {2016},
month = {11}
}

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Works referenced in this record:

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996