Defining Aging Marker Molecules of 1,3‐Propane Sultone for Targeted Identification in Spent LiNi0.6Co0.2Mn0.2O2||AG Cells

Herein we report on an analytical approach for targeted identification of hazardous 1,3‐propane sultone (PS) in spent lithium ion battery material. PS decomposition is investigated with chromatographic techniques coupled to high‐resolution accurate mass spectrometry. Speciation of sulfur‐containing decomposition products is performed and aging marker molecules are defined. The observed PS decomposition results in characteristic 1‐propanesulfonate via electrochemical ring‐opening. Based on this, 1‐propanesulfonate is defined as an ionic marker molecule for electrochemical PS decomposition. Further, volatile methyl and ethyl esters of 1‐propanesulfonate are identified. Their formation is observed mainly caused by elevated temperatures after preceding PS ring‐opening during cell formation. Both, ionic and volatile decomposition markers can be applied for targeted identification of hazardous PS‐containing lithium ion battery material, despite possible consumption of the initial additive molecule. Decomposition of the lithium ion battery electrolyte additive 1,3‐propane sultone (PS) is reevaluated by means of gas and ion chromatography coupled to high‐resolution accurate mass spectrometry. Proposed decomposition products are evaluated based on speciation analysis and characteristic ionic and volatile aging markers defined. Thus, a method for targeted and reliable reidentification of hazardous PS in spent battery material is presented.