The DOI matches its Crossref record; 5 of the 5 references it cites were found in a registry or an index.
First principles computational materials design for energy storage materials in lithium ion batteries
Abstract
First principles computation methods play an important role in developing and optimizing new energy storage and conversion materials. In this review, we present an overview of the computation approach aimed at designing better electrode materials for lithium ion batteries. Specifically, we show how each relevant property can be related to the structural component in the material and can be computed from first principles. By direct comparison with experimental observations, we hope to illustrate that first principles computation can help to accelerate the design and development of new energy storage materials.
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Cites
Self-Consistent Equations Including Exchange and Correlation Effects
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Armand, M., & Tarascon, J.-M. (2008) · Nature · doi:10.1038/451652a · Cited by 19,612
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Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464304 · Cited by 16,515
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Ab initio studies of structural and electronic properties of Li4Ti5O12 spinel
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Cited by
Saal, J. E., Kirklin, S., Aykol, M., Meredig, B., & Wolverton, C. (2013) · JOM · doi:10.1007/s11837-013-0755-4 · Cited by 2,584
Thackeray, M. M., Wolverton, C., & Isaacs, E. D. (2012) · Energy & Environmental Science · doi:10.1039/c2ee21892e · Cited by 2,515
Xie, Y., Naguib, M., Mochalin, V. N., Barsoum, M. W., Gogotsi, Y., Yu, X., Nam, K.-W., Yang, X.-Q., Kolesnikov, A. I., & Kent, P. R. C. (2014) · Journal of the American Chemical Society · doi:10.1021/ja501520b · Cited by 1,537
Recent advances in the research of polyanion-type cathode materials for Li-ion batteries
Gong, Z., & Yang, Y. (2011) · Energy & Environmental Science · doi:10.1039/c0ee00713g · Cited by 549
Magnesium–air batteries: from principle to application
Zhang, T., Tao, Z., & Chen, J. (2014) · Mater. Horiz. · doi:10.1039/c3mh00059a · Cited by 478
Metadata
- Authors
- Meng, Y. S., & Arroyo-de Dompablo, M. E.
- Venue
- Energy & Environmental Science
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2009
- Volume
- 2
- Issue
- 6
- Pages
- 589
- ISSN
- 1754-5692 (ISSN-L)
- 1754-5706
- OpenAlex
- W2058082286
- Cited by
- 545
- References
- 5
- FWCI
- 11.88
- Type
- journal article
- Language
- en
- Open access
- closed
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- Meng, Y. S., & Arroyo-de Dompablo, M. E. (2009). First principles computational materials design for energy storage materials in lithium ion batteries. Energy & Environmental Science. https://doi.org/10.1039/b901825e
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