Chemical Origin of Termination-Functionalized MXenes: Ti3C2T2 as a Case Study

By T. Hu, Zhaojin Li, Minmin Hu, Jiemin Wang, Q. Hu, Qingzhong Li, Xiaohui Wang. 2017

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Mechanistic understanding of the role separators playing in advanced lithium‐sulfur batteries (2020, background): “The abinitio calculation results suggest that Ti3C2 has much higher binding energy with S species compared to graphene (Figure 6A,B), but the binding energy will be severely weakened when replacing the surface Ti atoms with F/OH groups in the preparation of Ti3C2 nanosheets.(65,76-78) The experiment”
Recent advances in MXenes: From fundamentals to applications (2019, background): “ated crystal field, the 3d orbitals of surface Ti atoms split to form pseudogaps, whose values predict stability in order from highest to lowest of Ti3C2O2, Ti3C2F2, Ti3C2(OH)2, Ti3C2H2, and Ti3C2 [55].”
MXetronics: Electronic and photonic applications of MXenes (2019, background): “While the A-element is etched, the surface of MXene layer becomes chemically active and thermodynamically prefer to create surface functional groups (represented as Tx), such as =O, –OH, and/or minor –F.[8-10] So far, over 20 different MXenes have been experimentally synthesized and”