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Phase Stability of Nickel Hydroxides and Oxyhydroxides
Abstract
We investigate phase stability of several nickel hydroxides from first-principles. Hydrogen removal from is predicted to occur through a biphasic reaction to involving a change in the stacking sequence from T1 [for ] to P3 (for ). Further topotactic removal of hydrogen from can only occur after a step in a range between 0.4 and is surpassed. We also propose an energetically stable crystal structure for stoichiometric , which offers an explanation for the oxidation limit of 3.66 for Ni. In this structure, potassium in the intercalation layer resides halfway between adjacent trigonal prismatic sites. We conclude with a discussion of the role of the electrolyte in determining phase stability as well as the voltage profile of .
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Cited by
Trześniewski, B. J., Diaz-Morales, O., Vermaas, D. A., Longo, A., Bras, W., Koper, M. T. M., & Smith, W. A. (2015) · Journal of the American Chemical Society · doi:10.1021/jacs.5b06814 · Cited by 697
Xiao, H., Shin, H., & Goddard, W. A. (2018) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1722034115 · Cited by 555
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Sayed, E. T., Eisa, T., Mohamed, H. O., Abdelkareem, M. A., Allagui, A., Alawadhi, H., & Chae, K.-J. (2019) · Journal of Power Sources · doi:10.1016/j.jpowsour.2018.12.024 · Cited by 322
Ultrafast high-capacity NiZn battery with NiAlCo-layered double hydroxide
Gong, M., Li, Y., Zhang, H., Zhang, B., Zhou, W., Feng, J., Wang, H., Liang, Y., Fan, Z., Liu, J., et al. (2014) · Energy & Environmental Science · doi:10.1039/c4ee00317a · Cited by 309
Liang, H., Li, L., Meng, F., Dang, L., Zhuo, J., Forticaux, A., Wang, Z., & Jin, S. (2015) · Chemistry of Materials · doi:10.1021/acs.chemmater.5b02177 · Cited by 298
Metadata
- Authors
- Van der Ven, A., Morgan, D., Meng, Y. S., & Ceder, G.
- Venue
- Journal of The Electrochemical Society
- Publisher
- The Electrochemical Society
- Published
- 2006
- Volume
- 153
- Issue
- 2
- Pages
- A210
- ISSN
- 0013-4651 (ISSN-L)
- OpenAlex
- W2161625807
- Cited by
- 236
- References
- 0
- FWCI
- 2.82
- Type
- journal article
- Language
- en
- Open access
- closed
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- Van der Ven, A., Morgan, D., Meng, Y. S., & Ceder, G. (2006). Phase Stability of Nickel Hydroxides and Oxyhydroxides. Journal of The Electrochemical Society. https://doi.org/10.1149/1.2138572
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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