Please use this identifier to cite or link to this item:
https://doi.org/10.1039/d0ta10688g
DC Field | Value | |
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dc.title | A chemical map of NaSICON electrode materials for sodium-ion batteries | |
dc.contributor.author | GILL BALTEJ SINGH | |
dc.contributor.author | Ziliang Wang | |
dc.contributor.author | Sunkyu Park | |
dc.contributor.author | Gopalakrishnan Sai Gautam | |
dc.contributor.author | Jean-Noel Chotard | |
dc.contributor.author | Laurence Croguennec | |
dc.contributor.author | Dany Carlier | |
dc.contributor.author | CHEETHAM, ANTHONY KEVIN | |
dc.contributor.author | Christian Masquelier | |
dc.contributor.author | PIEREMANUELE CANEPA | |
dc.date.accessioned | 2021-05-20T08:43:54Z | |
dc.date.available | 2021-05-20T08:43:54Z | |
dc.date.issued | 2020-11-21 | |
dc.identifier.citation | GILL BALTEJ SINGH, Ziliang Wang, Sunkyu Park, Gopalakrishnan Sai Gautam, Jean-Noel Chotard, Laurence Croguennec, Dany Carlier, CHEETHAM, ANTHONY KEVIN, Christian Masquelier, PIEREMANUELE CANEPA (2020-11-21). A chemical map of NaSICON electrode materials for sodium-ion batteries. Journal of Materials Chemistry A 9 (1) : 281-292. ScholarBank@NUS Repository. https://doi.org/10.1039/d0ta10688g | |
dc.identifier.issn | 2050-7488 | |
dc.identifier.issn | 2050-7496 | |
dc.identifier.uri | https://scholarbank.nus.edu.sg/handle/10635/191382 | |
dc.description.abstract | Na-ion batteries are promising devices for smart grids and electric vehicles due to the cost effectiveness arising from the overall abundance of sodium (Na) and its even geographical distribution. Among other factors, the energy density of Na-ion batteries is limited by the cathode electrode chemistry. NaSICONbased electrode materials are known for their wide range of electrochemical potentials, high ionic conductivity, and most importantly their structural and thermal stabilities. Using first-principles calculations, we chart the chemical space of 3d transition metal-based NaSICON phosphates with the formula NaxMM0 (PO4)3 (with M and M0 ¼ Ti, V, Cr, Mn, Fe, Co and Ni) to analyze their thermodynamic stabilities and the intercalation voltages for Na+ ions. Specifically, we compute the Na insertion voltages and related properties of 28 distinct NaSICON compositions. We investigate the thermodynamic stability of Na-intercalation in previously unreported NaxMn2(PO4)3 and NaxVCo(PO4)3. The calculated quaternary phase diagrams of the Na–P–O–Co and Na–P–O–Ni chemical systems explain the origin of the suspected instability of Ni and Co-based NaSICON compositions. From our analysis, we are also able to rationalize anomalies in previously reported experimental data in this diverse and important chemical space. | |
dc.publisher | Royal Society of Chemistry | |
dc.type | Article | |
dc.contributor.department | MATERIALS SCIENCE AND ENGINEERING | |
dc.description.doi | 10.1039/d0ta10688g | |
dc.description.sourcetitle | Journal of Materials Chemistry A | |
dc.description.volume | 9 | |
dc.description.issue | 1 | |
dc.description.page | 281-292 | |
dc.published.state | Published | |
Appears in Collections: | Staff Publications Elements |
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singh.jmca.d0ta10688g.pdf | 1.08 MB | Adobe PDF | CLOSED | Published | ||
A chemical map of NaSICON electrode materials for sodium-ion batteries.pdf | 1.34 MB | Adobe PDF | OPEN | Pre-print | View/Download |
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