Research Progress of Novel Two-dimensional Material MXene

Abstract

MXene is a new family of two-dimensional transition metal carbides or carbonitrides with graphene-like 2D morphology. The chemical formula of MXene is M n+1 X n T z , where M is an early transition metal, X is C and/or N, T stands for surface-terminating functional groups like F-, OH-, O 2-, etc., and n = 1, 2, or 3. It can be achieved by selective etching of the A element from the MAX phases, and HF is an etchant mostly used. First-principles calculations about MXene have been performed to reveal the structure and properties. MXene has also been found to have a unique two-dimensional layered structure, large specific surface area and good electrical conductivity, stability, magnetic and mechanical properties, and thus it is promising in many fields, including energy storage, catalysis and adsorption. This article reviews the quite recent progress of MXene based on theoretical and experimental considerations, especially its structure, synthesis, and applications. Finally, the suggestions about existing challenges and future developments are proposed. MXene is expected to be used for more various applications with further extensive research.

Versatile Ti3C2Tx MXene for free-radical scavenging

“…Since the beginning of this century, two-dimensional (2D) nanomaterials, such as graphene [1], black phosphorous [2], and MoS 2 [3], have attracted great interest in many fields. Among 2D materials, a new family labeled as "MXenes" has received much attention for its innate and excellent features like high metallic conductivity, large surface area, and great hydrophilicity [4].…”

Surface-Related Features Responsible for Cytotoxic Behavior of MXenes Layered Materials Predicted with Machine Learning Approach

“…MXenes are defined as early transition metal carbides, nitrides, and carbonitrides. They have received much attention as their unique 2D crystal structure can be easily tuned to produce dramatic improvement in material properties [1]. Therefore, it is not surprising that they have been successfully applied in many fields of materials science and technology [2].…”

Synthesis and Theoretical Study of Conductive Mo1.33CT2 MXene

“…无 机 材 料 学 报 第 34 卷 自 2004 年二维石墨烯(2D graphene)被发现以来, 其独特的二维结构和物化性能备受人们关注, 随后 一系列二维材料相继被报道出来, 如六方氮化硼 (BN), 过渡金属二硫化物(TMDs), 金属氧化物和金 属氢氧化物等 [1][2][3][4] 。2011 年 Naguib 等 [5] 在室温下用 HF 化学刻蚀的方法选择性的刻蚀掉 Ti 3 AlC 2 MAX 相(其中 M 为前过渡金属, A 主要为 IIIA 或者 IVA 族 元素, X 是 C 和/或 N, n=1、 2 或者 3)的 Al 原子层, 得 到了表面带有 O/F/OH 官能团的 Ti 3 C 2 T x 2D 材料。 因其与石墨烯的结构相似性, 该类材料被命名为 MXene, 化 学 表 达 式 为 M n+1 X n 。 目 前 已 报 道 的 MXene 材 料 有 20 余 种 , 如 Ti 3 C 2 、 Ti 2 C 、 (Ti 0.5 Nb 0.5 ) 2 C、(V 0.5 Cr 0.5 ) 3 C 2 、Ti 3 CN、Ta 4 C 3 、Nb 2 C、 V 2 C、Mo 2 C 和 Nb 4 C 3 等 [6][7][8] 。新型 2D MXene 作为 二维材料具有一些独特的性质, 例如: 独特的物理 化学性质, 大的比表面积, 独特的层状结构, 特殊 的表面官能团等 [9][10][11] 。这些特性使其在很多方面有 着潜在的应用, 近年来吸引了大量的学者对其进行 实验和理论的研究 [12][13][14][15] [24] 。Meshkian 等 [25] 用第一性原理的方法研究了 Mo 2 ScAlC 2 的稳定 性以及对应的 MXene 的稳定性, 证明它们都是可以 稳 定 存 在 的 。 Tao 等 [26] [28][29] 。 赝势采用投影缀加平面波(PAW)形式, 对应 平面波的截断能取为 500 eV 应用于 Mo 4p 6 4d 5 5s 1 , Y4p 6 4d 1 5s 2 , Al3s 2 3p 1 , C 2s 2 2p 2 电子。交换关联泛函 Ga), 从而得到相应的二维材料 [17,22] , 这 与理论计算的结果是一致的。…”