A new tavorite LiTiPO4F electrode material for aqueous rechargeable lithium ion battery

High‐Energy Aqueous Lithium Batteries

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research, aqueous electrolytes were occasionally employed for the investigation of cathode materials instead of the conventional nonaqueous electrolytes. [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28] A possible reason is that the key advantage of ARLBs was low cost, and thus, the focus was limited to a few inexpensive materials (e.g., lithium salts). For instance, although the formation of solid electrolyte interphase (SEI) is of utmost importance for the cyclability of LIB, the significant role of the electrolyte does not allow to exclusively study the electrochemical behavior of the electrode material under consideration.

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“…The current research has specifically targeted the development of ARLBs, but in practice, most of the recent papers have followed the same line of research in investigating a limited range of cathode and anode materials in the same aqueous electrolytes. [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28] A possible reason is that the key advantage of ARLBs was low cost, and thus, the focus was limited to a few inexpensive materials (e.g., lithium salts). Aqueous electrolytes are definitely excellent choices for the fundamental studies of electrode materials, but the practical development of ARLBs needs overcoming the key obstacles rather than finding more cathode materials.In any case, aqueous electrolytes were occasionally used during the 2000s by various research groups, but there was no vivid plan for the development of ARLBs.…”

Bayesian-Driven First-Principles Calculations for Accelerating Exploration of Fast Ion Conductors for Rechargeable Battery Application

“…Additional data are provided in Table S3 for DFT-optimized structural information. The ionothermal synthesis approach would be one of the possible routes for preparing the two new compounds, as demonstrated for already known ones such as tavorite LiMgSO 4 F 37 , and structure-isotopic compounds such as LiFeSO 4 F 36 , LiFePO 4 F 50 , and LiTiPO 4 F 38 , 50 .

Figure 8 ( a ) DFT-calculated thermodynamic stability energy ( ) of tavorite compounds with < 0.3 eV.

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“…Previous efforts have dealt mainly on unary and binary systems, whereas the present study emphasized on formulating an efficient and automation-compatible property-based search/screening in the extended composition space of five-component compounds with a fixed crystal structure (tavorite AMXO 4 Z system, where A, M, X, and Z are sites for ionic substitution), covering yet-to-be synthesized chemistries that are not yet found in databases. The choice of tavorite AMXO 4 Z is motivated by the idea that it is relatively unexplored in terms of varying its composition, so there is a good possibility of finding truly unreported new compounds 36 – 38 . Another reason is that one of the reported compound, LiFeSO 4 F, demonstrates high Li insertion rate which means that pathways within the structure can be highly favorable for ion transport 36 .…”

Carbon‐Nanotube‐Encapsulated LiTiOPO4 Composite Electrode for Aqueous Rechargeable Battery Applications

“…From the GCPL studies, we had clear voltage plateaus for LTOP/SWCNTs in the vicinity of −0.8 V in both half‐cell and full‐cell configuration, suggesting an electrochemical reversibility and rapid kinetics for the Li‐intercalation/de‐intercalation, excellent cyclability and rate capability which is due to the stable crystal framework combined with highly conducting and stable SWCNTs and also with high conductivity of aqueous electrolyte. Hence, the discharge capacity, reversibility and cycle life achieved in half‐cell and full‐cell configuration is superior to many other aqueous Li‐ion batteries and also it can compete with some other rechargeable Li‐ion battery systems ,,…”