Atomic-scale investigations of Ti₃C₂T_<em>x</em> MXene surfaces

The family of two-dimensional (2D) carbides and/or nitrides, also known as MXenes, has generated great excitement within the scientific community and has been proposed for a wide variety of applications since its discovery. Despite this attention, there have been only limited studies of the atomically resolved local electronic and physical structure of MXene surfaces strongly affecting the physicochemical properties of these materials. Here, in this study, we report local structural, spectroscopic, and chemical investigations of the surfaces of Ti₃C₂T_x flakes using scanning tunneling microscopy and spectroscopy, closely coupled to theoretical studies. Terminal groups are visualized and characterized, along with surface TiO₂ clusters formed upon exposure to air. Fundamental insight into the local electronic and chemical properties associated with different terminal groups on MXenes and their oxidation products is presented.. Authors: White, Katherine E. [University of California, Los Angeles, CA (United States)]; Chu, Yi Zhi [California State University, Northridge (CSUN), CA (United States); Michigan Technological University, Houghton, MI (United States)]; Gani, Gilad [University of California, Los Angeles, CA (United States)]; Ippolito, Stefano [Drexel University, Philadelphia, PA (United States)]; Barr, Kristopher K. [University of California, Los Angeles, CA (United States)]. DOE Contract: AC02-05CH11231. Subjects: 36 MATERIALS SCIENCE; DFT; MXene2D materials; density functional theory; scanning tunneling microscopy; scanning tunneling spectroscopy; surface investigation