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Title: KVOPO 4: A New High Capacity Multielectron Na-Ion Battery Cathode

Sodium ion batteries have attracted much attention in recent years, due to the higher abundance and lower cost of sodium, as an alternative to lithium ion batteries. However, a major challenge is their lower energy density. In this work, we report a novel multi–electron cathode material, KVOPO4, for sodium ion batteries. Due to the unique polyhedral framework, the V 3+ ↔ V 4+ ↔ V 5+ redox couple was for the first time fully activated by sodium ions in a vanadyl phosphate phase. The KVOPO 4 based cathode delivered reversible multiple sodium (i.e. maximum 1.66 Na + per formula unit) storage capability, which leads to a high specific capacity of 235 Ah kg –1. Combining an average voltage of 2.56 V vs. Na/Na+, a high practical energy density of over 600 Wh kg –1 was achieved, the highest yet reported for any sodium cathode material. The cathode exhibits a very small volume change upon cycling (1.4% for 0.64 sodium and 8.0% for 1.66 sodium ions). In conclusion, density functional theory (DFT) calculations indicate that the KVOPO4 framework is a 3D ionic conductor with a reasonably, low Na + migration energy barrier of ≈450 meV, in line with the good ratemore » capability obtained.« less
Authors:
 [1] ;  [2] ;  [3] ;  [1] ;  [1] ;  [1] ;  [2] ;  [4] ;  [1] ;  [1] ;  [4] ;  [1] ;  [2] ; ORCiD logo [1]
  1. Binghamton Univ., Binghamton, NY (United States)
  2. Univ. of California San Diego, La Jolla, CA (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Grant/Contract Number:
AC02-06CH11357; SC0012583
Type:
Accepted Manuscript
Journal Name:
Advanced Energy Materials
Additional Journal Information:
Journal Volume: 8; Journal Issue: 21; Journal ID: ISSN 1614-6832
Publisher:
Wiley
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; high capacity; high energy; multi-electron; sodium ion batteries; vanadyl phosphate
OSTI Identifier:
1480492
Alternate Identifier(s):
OSTI ID: 1436544

Ding, Jia, Lin, Yuh -Chieh, Liu, Jue, Rana, Jatinkumar, Zhang, Hanlei, Zhou, Hui, Chu, Iek -Heng, Wiaderek, Kamila M., Omenya, Fredrick, Chernova, Natasha A., Chapman, Karena W., Piper, Louis F. J., Ong, Shyue Ping, and Whittingham, M. Stanley. KVOPO4: A New High Capacity Multielectron Na-Ion Battery Cathode. United States: N. p., Web. doi:10.1002/aenm.201800221.
Ding, Jia, Lin, Yuh -Chieh, Liu, Jue, Rana, Jatinkumar, Zhang, Hanlei, Zhou, Hui, Chu, Iek -Heng, Wiaderek, Kamila M., Omenya, Fredrick, Chernova, Natasha A., Chapman, Karena W., Piper, Louis F. J., Ong, Shyue Ping, & Whittingham, M. Stanley. KVOPO4: A New High Capacity Multielectron Na-Ion Battery Cathode. United States. doi:10.1002/aenm.201800221.
Ding, Jia, Lin, Yuh -Chieh, Liu, Jue, Rana, Jatinkumar, Zhang, Hanlei, Zhou, Hui, Chu, Iek -Heng, Wiaderek, Kamila M., Omenya, Fredrick, Chernova, Natasha A., Chapman, Karena W., Piper, Louis F. J., Ong, Shyue Ping, and Whittingham, M. Stanley. 2018. "KVOPO4: A New High Capacity Multielectron Na-Ion Battery Cathode". United States. doi:10.1002/aenm.201800221.
@article{osti_1480492,
title = {KVOPO4: A New High Capacity Multielectron Na-Ion Battery Cathode},
author = {Ding, Jia and Lin, Yuh -Chieh and Liu, Jue and Rana, Jatinkumar and Zhang, Hanlei and Zhou, Hui and Chu, Iek -Heng and Wiaderek, Kamila M. and Omenya, Fredrick and Chernova, Natasha A. and Chapman, Karena W. and Piper, Louis F. J. and Ong, Shyue Ping and Whittingham, M. Stanley},
abstractNote = {Sodium ion batteries have attracted much attention in recent years, due to the higher abundance and lower cost of sodium, as an alternative to lithium ion batteries. However, a major challenge is their lower energy density. In this work, we report a novel multi–electron cathode material, KVOPO4, for sodium ion batteries. Due to the unique polyhedral framework, the V3+ ↔ V4+ ↔ V5+ redox couple was for the first time fully activated by sodium ions in a vanadyl phosphate phase. The KVOPO4 based cathode delivered reversible multiple sodium (i.e. maximum 1.66 Na+ per formula unit) storage capability, which leads to a high specific capacity of 235 Ah kg–1. Combining an average voltage of 2.56 V vs. Na/Na+, a high practical energy density of over 600 Wh kg–1 was achieved, the highest yet reported for any sodium cathode material. The cathode exhibits a very small volume change upon cycling (1.4% for 0.64 sodium and 8.0% for 1.66 sodium ions). In conclusion, density functional theory (DFT) calculations indicate that the KVOPO4 framework is a 3D ionic conductor with a reasonably, low Na+ migration energy barrier of ≈450 meV, in line with the good rate capability obtained.},
doi = {10.1002/aenm.201800221},
journal = {Advanced Energy Materials},
number = 21,
volume = 8,
place = {United States},
year = {2018},
month = {5}
}

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