Molecule Design for Non-Aqueous Wide-Temperature Electrolytes via the Intelligentized Screening Method.

Operating a lithium-ion battery (LIB) in a wide temperature range is essential for ensuring a stable electricity supply amidst fluctuating temperatures caused by climate or terrain changes. Electrolyte plays a pivotal role in determining the temperature durability of batteries. However, specialized electrolytes designed for either low or high temperatures typically possess distinct features. Therefore, wide-temperature electrolytes (WTEs) are necessary as they encompass a combination of diverse properties, which complicates the clear instruction of WTE design. Here we represent an artificial intelligence (Al)-assisted workflow of WTE design through stepwise parameterizations and calculations. Linear mono-nitriles are identified as ideal wide-liquidus-range solvents that can "softly" solvate lithium ions by weak interactions. In addition, the explainable modules revealed the halogenoid similarity of cyanide as fluorine on the electrolyte properties (e.g. boiling point and dielectric constant). With the further introduction of an ether bond, 3-methoxypropionitrile (MPN) has been eventually determined as a main electrolyte solvent, enabling the battery operation from -60 to 120 °C. Particularly, a LiCoO2/Li cell using the proposed WTE can realize stable cycling with capacity retention reaching 72.3 % after 50 cycles under a high temperature of 100 °C.

Significant differences in the electrochemical activity of black phosphorus anodes prepared under different atmospheres.

The effects of atmosphere and temperature on the electrochemical reversibility of black phosphorus (BP) anodes were investigated. BP anodes prepared in ambient air exhibited much-enhanced electrochemical activity due to the newly formed Cu3P phase. This work highlights the importance of maintaining intragranular electronic conduction for developing advanced BP-based anodes with high reversible capacities.

Introducing competitive adsorption species in sulfonimide salt-based electrolytes for inhibiting aluminium corrosion.

The addition of [EMIM]NO3 effectively inhibited aluminium current collector corrosion in a LiTFSI-based electrolyte since both [EMIM]+ and NO3- could exclude TFSI- from directly contacting the surface of the aluminium current collector as a result of competitive adsorptions. This work offers a novel technical solution to address the corrosion issue and may promote the wide application of sulfonimide salts.