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Title: A high-pressure induced stable phase of Li 2 MnSiO 4 as an effective poly-anion cathode material from simulations

Abstract

A novel poly-anion Li 2 MnSiO 4 material is predicted at high pressure using global crystal structure search combined with first-principles calculation, which shows great potentials as a high-performance cathode.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [2];  [1]; ORCiD logo [1]; ORCiD logo [3]
  1. Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871, China
  2. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, USA
  3. Department of Physics, Virginia Commonwealth University, Richmond, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1529417
Grant/Contract Number:  
FG02-96ER45579
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Materials Chemistry. A
Additional Journal Information:
Journal Name: Journal of Materials Chemistry. A Journal Volume: 7 Journal Issue: 27; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Wang, Shuo, Liu, Junyi, Qie, Yu, Gong, Sheng, Zhang, Cunzhi, Sun, Qiang, and Jena, Puru. A high-pressure induced stable phase of Li 2 MnSiO 4 as an effective poly-anion cathode material from simulations. United Kingdom: N. p., 2019. Web. doi:10.1039/C9TA03369F.
Wang, Shuo, Liu, Junyi, Qie, Yu, Gong, Sheng, Zhang, Cunzhi, Sun, Qiang, & Jena, Puru. A high-pressure induced stable phase of Li 2 MnSiO 4 as an effective poly-anion cathode material from simulations. United Kingdom. https://doi.org/10.1039/C9TA03369F
Wang, Shuo, Liu, Junyi, Qie, Yu, Gong, Sheng, Zhang, Cunzhi, Sun, Qiang, and Jena, Puru. Tue . "A high-pressure induced stable phase of Li 2 MnSiO 4 as an effective poly-anion cathode material from simulations". United Kingdom. https://doi.org/10.1039/C9TA03369F.
@article{osti_1529417,
title = {A high-pressure induced stable phase of Li 2 MnSiO 4 as an effective poly-anion cathode material from simulations},
author = {Wang, Shuo and Liu, Junyi and Qie, Yu and Gong, Sheng and Zhang, Cunzhi and Sun, Qiang and Jena, Puru},
abstractNote = {A novel poly-anion Li 2 MnSiO 4 material is predicted at high pressure using global crystal structure search combined with first-principles calculation, which shows great potentials as a high-performance cathode.},
doi = {10.1039/C9TA03369F},
journal = {Journal of Materials Chemistry. A},
number = 27,
volume = 7,
place = {United Kingdom},
year = {2019},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/C9TA03369F

Citation Metrics:
Cited by: 5 works
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