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

Wang, Shuo; Liu, Junyi; Qie, Yu; Gong, Sheng; Zhang, Cunzhi; Sun, Qiang; Jena, Puru

doi:10.1039/C9TA03369F

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

Journal Article · 09 July 2019 · Journal of Materials Chemistry. A

DOI: https://doi.org/10.1039/C9TA03369F · OSTI ID:1529417

^[1];

^[1]; Gong, Sheng ^[2]; Zhang, Cunzhi ^[1];

^[1];

^[3]

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

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.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-96ER45579

OSTI ID:: 1529417

Journal Information:: Journal of Materials Chemistry. A, Journal Name: Journal of Materials Chemistry. A Vol. 7 Journal Issue: 27; ISSN 2050-7488

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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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