Mxene Monolayer(Mxene 单层)研究综述
Mxene Monolayer Mxene 单层 - Herein, we theoretically design and explore 2D hybrid materials of CoNx–G supported by MXene monolayers as highly active HER electrocatalysts by using first-principles calculations. [1] In this study, the electronic and optical properties of 2D M2CT2 (M=Y, Sc and T=F, Cl) MXene monolayer, a recent family of two dimensional materials with an extensive potential applications owing to their outstanding properties, are investigated using a set of density functional theory (DFT) calculations. [2] Single-flake measurements have been shown imperative for a variety of other 2D materials but remain scarce for MXene monolayers and so far have been limited only to Ti3C2Tx. [3] In this study, the mechanical properties of all known 2D titanium carbide-based MXene monolayers have been systematically investigated by means of the density functional theory computations. [4] This is shown to be due to differences in the computed interlayer distances between the MXene monolayers, which are found to be linearly related to the diffusion barriers. [5]在此，我们通过第一性原理计算从理论上设计和探索了由 MXene 单层支持的 CoNx-G 二维杂化材料作为高活性 HER 电催化剂。 [1] 在这项研究中，2D M2CT2（M=Y，Sc 和 T=F，Cl）MXene 单层的电子和光学特性，这是一个最近的二维材料家族，由于其出色的特性，具有广泛的潜在应用，使用一组密度泛函理论 (DFT) 计算。 [2] 单片测量已被证明对于各种其他 2D 材料是必不可少的，但对于 MXene 单层材料仍然很少见，并且迄今为止仅限于 Ti3C2Tx。 [3] 在这项研究中，通过密度泛函理论计算系统地研究了所有已知的二维碳化钛基 MXene 单层的机械性能。 [4] 这被证明是由于计算的 MXene 单层之间的层间距离存在差异，发现这些距离与扩散势垒线性相关。 [5]