Laboratory Operando XAS Study of Sodium Iron Titanite Cathode in the Li-Ion Half-Cell
Electrochemical characterization of the novel sodium iron titanate Na<sub>0.9</sub>Fe<sub>0.45</sub>Ti<sub>1.55</sub>O<sub>4</sub> was performed upon cycling in the Li-ion half-cell. The material exhibited stable cycling in the voltage range 2–4.5 V, a...
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MDPI AG
2021-01-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/11/1/156 |
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doaj-f22c5f6a86314440809a519a1fac4b6e2021-01-10T00:03:23ZengMDPI AGNanomaterials2079-49912021-01-011115615610.3390/nano11010156Laboratory Operando XAS Study of Sodium Iron Titanite Cathode in the Li-Ion Half-CellVictor Shapovalov0Alexander Guda1Vera Butova2Igor Shukaev3Alexander Soldatov4The Smart Materials Research Institute, Southern Federal University, 178/24 A. Sladkova Street, 344090 Rostov-on-Don, RussiaThe Smart Materials Research Institute, Southern Federal University, 178/24 A. Sladkova Street, 344090 Rostov-on-Don, RussiaThe Smart Materials Research Institute, Southern Federal University, 178/24 A. Sladkova Street, 344090 Rostov-on-Don, RussiaDepartment of Chemistry, Southern Federal University, 7 Zorge Street, 344090 Rostov-on-Don, RussiaThe Smart Materials Research Institute, Southern Federal University, 178/24 A. Sladkova Street, 344090 Rostov-on-Don, RussiaElectrochemical characterization of the novel sodium iron titanate Na<sub>0.9</sub>Fe<sub>0.45</sub>Ti<sub>1.55</sub>O<sub>4</sub> was performed upon cycling in the Li-ion half-cell. The material exhibited stable cycling in the voltage range 2–4.5 V, and the number of alkali ions extracted per formula unit was approximately half of the Na stoichiometry value. Using laboratory X-ray absorption spectrometry, we measured operando Fe K-edge X-ray absorption spectra in the first 10 charge–discharge cycles and quantified the portion of charge associated with the transition metal redox reaction. Although 3d metals are commonly accepted redox-active centers in the intercalation process, we found that in all cycles the amount of oxidized and reduced Fe ions was almost 20% less than the total number of transferred electrons. Using density functional theory (DFT) simulations, we show that part of the reversible capacity is related to the redox reaction on oxygen ions.https://www.mdpi.com/2079-4991/11/1/156Na-ioncathode materialsodium iron titanateoperando studyX-ray absorption spectroscopyDFT calculations |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Victor Shapovalov Alexander Guda Vera Butova Igor Shukaev Alexander Soldatov |
| spellingShingle |
Victor Shapovalov Alexander Guda Vera Butova Igor Shukaev Alexander Soldatov Laboratory Operando XAS Study of Sodium Iron Titanite Cathode in the Li-Ion Half-Cell Nanomaterials Na-ion cathode material sodium iron titanate operando study X-ray absorption spectroscopy DFT calculations |
| author_facet |
Victor Shapovalov Alexander Guda Vera Butova Igor Shukaev Alexander Soldatov |
| author_sort |
Victor Shapovalov |
| title |
Laboratory Operando XAS Study of Sodium Iron Titanite Cathode in the Li-Ion Half-Cell |
| title_short |
Laboratory Operando XAS Study of Sodium Iron Titanite Cathode in the Li-Ion Half-Cell |
| title_full |
Laboratory Operando XAS Study of Sodium Iron Titanite Cathode in the Li-Ion Half-Cell |
| title_fullStr |
Laboratory Operando XAS Study of Sodium Iron Titanite Cathode in the Li-Ion Half-Cell |
| title_full_unstemmed |
Laboratory Operando XAS Study of Sodium Iron Titanite Cathode in the Li-Ion Half-Cell |
| title_sort |
laboratory operando xas study of sodium iron titanite cathode in the li-ion half-cell |
| publisher |
MDPI AG |
| series |
Nanomaterials |
| issn |
2079-4991 |
| publishDate |
2021-01-01 |
| description |
Electrochemical characterization of the novel sodium iron titanate Na<sub>0.9</sub>Fe<sub>0.45</sub>Ti<sub>1.55</sub>O<sub>4</sub> was performed upon cycling in the Li-ion half-cell. The material exhibited stable cycling in the voltage range 2–4.5 V, and the number of alkali ions extracted per formula unit was approximately half of the Na stoichiometry value. Using laboratory X-ray absorption spectrometry, we measured operando Fe K-edge X-ray absorption spectra in the first 10 charge–discharge cycles and quantified the portion of charge associated with the transition metal redox reaction. Although 3d metals are commonly accepted redox-active centers in the intercalation process, we found that in all cycles the amount of oxidized and reduced Fe ions was almost 20% less than the total number of transferred electrons. Using density functional theory (DFT) simulations, we show that part of the reversible capacity is related to the redox reaction on oxygen ions. |
| topic |
Na-ion cathode material sodium iron titanate operando study X-ray absorption spectroscopy DFT calculations |
| url |
https://www.mdpi.com/2079-4991/11/1/156 |
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