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:
-
- Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871, China
- Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, USA
- 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}
}
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https://doi.org/10.1039/C9TA03369F
https://doi.org/10.1039/C9TA03369F
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Cited by: 5 works
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