Atomic-Scale Recognition of Surface Structure and Intercalation Mechanism of Ti 3 C 2 X
Institute of Physics · Chinese Academy of Sciences · +1 more institution
Abstract
MXenes represent a large family of functionalized two-dimensional (2D) transition-metal carbides and carbonitrides. However, most of the understanding on their unique structures and applications stops at the theoretical suggestion and lack of experimental support. Herein, the surface structure and intercalation chemistry of Ti3C2X are clarified at the atomic scale by aberration-corrected scanning transmission electron microscope (STEM) and density functional theory (DFT) calculations. The STEM studies show that the functional groups (e.g., OH(-), F(-), O(-)) and the intercalated sodium (Na) ions prefer to stay on the top sites of the centro-Ti atoms and the C atoms of the Ti3C2 monolayer, respectively. Double…
Citation impact
- FWCI
- 16.71
- Percentile
- 100%
- References
- 42
Authors
6- XWXuefeng WangCorresponding
Institute of Physics, Chinese Academy of Sciences
- XSXi Shen
Chinese Academy of Sciences, Institute of Physics, National Laboratory for Superconductivity
- YGYurui Gao
Chinese Academy of Sciences, Institute of Physics
- ZWZhaoxiang Wang
Chinese Academy of Sciences, Institute of Physics
- RYRicheng Yu
Institute of Physics, Chinese Academy of Sciences, National Laboratory for Superconductivity
Topics & keywords
- Intercalation (chemistry)
- MXenes
- Chemistry
- Monolayer
- Density functional theory
- Chemical physics
- Atomic units
- Ion