X-ray Photoelectron Spectroscopy of Ti3AlC2, Ti3C2Tz, and TiC Provides Evidence for the Electrostatic Interaction between Laminated Layers in MAX-Phase Materials

The inherently nanolaminated Ti3AlC2 is one of the most studied MAX-phase materials. MAX-phases consists of two-dimensional Mn+1Xn-layers (e.g., T3C2-layers) with strong internal covalent bonds separated by weakly interacting A-layers (e.g., Al-layers), where the repetitive stacking of the Mn+1Xn-layers and the A-layers suggests being the foundation for the unusual but attractive material properties of the MAX-phases. Although being an important parameter, the nature of the bonding between the Mn+1Xn-layers and the A-layers has not yet been established in detail. The X-ray photoelectron spectroscopy data presented in this paper suggest that the weak interaction between the Ti3C2-layers and the Al-layers in Ti3AlC2 is through electrostatic attraction facilitated by a charge redistribution of the delocalized electrons from the Ti3C2-layers to the Al-layers. This charge redistribution is of the same size and direction as between Ti atoms and Al atoms in TiAl alloy. This finding opens up a pathway to predict and improve MAX-phase materials properties through A-layer alloying, as well as to predict new and practically feasible MXene compounds.Funding Agencies|Swedish Foundation for Strategic Research (SSF)Swedish Foundation for Strategic Research [EM160004]; Swedish Research Council (VR)Swedish Research Council [6422013-8020]; KAW Fellowship/Scholar program