Surface Functional Groups and Electrochemical Behavior in Dimethyl Sulfoxide‐Delaminated Ti3C2Tx MXene

Functional groups in two-dimensional (2D) Ti3 C2 Tx MXene are an important factor influencing electrochemical performance in many applications involving energy storage, electrochemical sensors, and water purification. However, after dimethyl sulfoxide (DMSO) delamination, the effect of surface functionalities in Ti3 C2 Tx is still unclear and there are no systematic reports on its capacitive behavior. Experiments and theoretical calculations confirm the relationship between different surface functionalities, the DMSO delamination effect, and the electrochemical behavior of the DMSO-delaminated Ti3 C2 Tx . The dominant -O and -OH terminations are attributed for surfaces delaminated by using HF [Ti3 C2 Tx (HF)] and LiF/HCl [Ti3 C2 Tx (LiF/HCl)], respectively. Theoretical results are also in agreement with experimental results in that -OH terminations are essential for the formation of a free-standing film. Compared to non-delaminated Ti3 C2 Tx (HF) (similar O/F ratios of 1.37 and 1.42), there is a significant DMSO delamination effect for Ti3 C2 Tx (LiF/HCl) because of different O/F ratios of 2.9 and 3.6. Additionally, the delaminated Ti3 C2 Tx (LiF/HCl) electrodes deliver a higher capacitance of 508 F cm-3 than that of 333 F cm-3 for the delaminated Ti3 C2 Tx (HF), although it exhibited lower equivalent series resistance, lower interlayer spacing, and slightly lower specific surface area. This study provides direct and systematic experimental evidence for different functional groups in Ti3 C2 Tx MXene based on the DMSO delamination effect.