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X-ray Photoelectron Spectroscopy of Ti3AlC2, Ti3C2Tz, and TiC Provides Evidence for the Electrostatic Interaction between Laminated Layers in MAX-Phase Materials
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2020-12-07 , DOI: 10.1021/acs.jpcc.0c07413 Lars-Åke Näslund 1 , Per O. Å. Persson 1 , Johanna Rosen 1
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2020-12-07 , DOI: 10.1021/acs.jpcc.0c07413 Lars-Åke Näslund 1 , Per O. Å. Persson 1 , Johanna Rosen 1
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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.
中文翻译：
Ti 3 AlC 2，Ti 3 C 2 T z和TiC的X射线光电子能谱为MAX相材料中层间的静电相互作用提供了证据
固有的纳米层压Ti 3 AlC 2是研究最多的MAX相材料之一。MAX-相由二维的M n +1 X n层（例如T 3 C 2层）组成，这些内部层具有很强的内部共价键，并由弱相互作用的A层（例如Al层）隔开，在该处重复堆叠M n +1 X n层和A层的分布表明，这是MAX相不寻常但具有吸引力的材料特性的基础。M n +1 X n之间的键性质虽然很重要，层和A层尚未详细建立。本文提供的X射线光电子能谱数据表明，Ti 3 AlC 2中的Ti 3 C 2层与Al层之间的弱相互作用是通过电荷的重新分布使Ti中离域电子的电荷重新分布而促进的静电吸引3 C 2层至Al层。这种电荷的重新分布与TiAl合金中Ti原子和Al原子之间的大小和方向相同。这一发现为通过A层合金化预测和改善MAX相材料性能，以及预测新的和实际可行的MXene化合物开辟了道路。
更新日期：2020-12-17
中文翻译：
Ti 3 AlC 2，Ti 3 C 2 T z和TiC的X射线光电子能谱为MAX相材料中层间的静电相互作用提供了证据
固有的纳米层压Ti 3 AlC 2是研究最多的MAX相材料之一。MAX-相由二维的M n +1 X n层（例如T 3 C 2层）组成，这些内部层具有很强的内部共价键，并由弱相互作用的A层（例如Al层）隔开，在该处重复堆叠M n +1 X n层和A层的分布表明，这是MAX相不寻常但具有吸引力的材料特性的基础。M n +1 X n之间的键性质虽然很重要，层和A层尚未详细建立。本文提供的X射线光电子能谱数据表明，Ti 3 AlC 2中的Ti 3 C 2层与Al层之间的弱相互作用是通过电荷的重新分布使Ti中离域电子的电荷重新分布而促进的静电吸引3 C 2层至Al层。这种电荷的重新分布与TiAl合金中Ti原子和Al原子之间的大小和方向相同。这一发现为通过A层合金化预测和改善MAX相材料性能，以及预测新的和实际可行的MXene化合物开辟了道路。
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