Parker Tetiana, Zhang Danzhen, Bugallo David, Shevchuk Kateryna, Downes Marley, Valurouthu Geetha, Inman Alex, Chacon Benjamin, Zhang Teng, Shuck Christopher E, Hu Yong-Jie, Gogotsi Yury
A.J. Drexel Nanomaterials Institute, Drexel University, 3141 Chestnut St., Philadelphia, Pennsylvania 19104, United States.
Department of Material Science and Engineering, Drexel University, 3141 Chestnut St., Philadelphia, Pennsylvania 19104, United States.
Chem Mater. 2024 Aug 21;36(17):8437-8446. doi: 10.1021/acs.chemmater.4c01536. eCollection 2024 Sep 10.
Fourier-transform infrared (FTIR) spectroscopy characterization is a powerful and easy-to-use technique frequently employed for the characterization and fingerprinting of materials. Although MXenes are a large and fastest growing family of inorganic 2D materials, the lack of systematic FTIR spectroscopy studies hinders its application to MXenes and often leads to misinterpretation of the results. In this study, we report experimental and calculated FTIR spectra of 12 most typical carbide and carbonitride MXenes with different compositions (5 transition metals) and all four basic structures, including TiCT , NbCT , MoCT , VCT , TiCT , TiCNT , MoTiCT , MoTiCT , NbCT , VCT , TaCT , and MoVCT . The measurements were performed on delaminated MXene flakes incorporated in KBr pellets in the 4000-400 cm range. We provide detailed instructions for sample preparation, data collection, and interpretation of FTIR spectra of MXenes. Background correction and spectra smoothing are applied to obtain clear FTIR peaks corresponding to bond vibrations in MXenes. Density functional theory calculations were used for the precise assignment of all characteristic FTIR peaks and an in-depth analysis of the vibration modes. This work aims to provide the 2D material community with the FTIR spectroscopy technique as a reliable method for identifying and analyzing MXenes.
傅里叶变换红外（FTIR）光谱表征是一种强大且易于使用的技术，常用于材料的表征和指纹识别。尽管MXenes是一个庞大且发展迅速的无机二维材料家族，但缺乏系统的FTIR光谱研究阻碍了其在MXenes中的应用，并且常常导致结果的错误解读。在本研究中，我们报告了12种最典型的具有不同组成（5种过渡金属）和所有四种基本结构的碳化物和碳氮化物MXenes的实验和计算FTIR光谱，包括TiCT 、NbCT 、MoCT 、VCT 、TiCT 、TiCNT 、MoTiCT 、MoTiCT 、NbCT 、VCT 、TaCT 和MoVCT 。测量是在4000 - 400 cm范围内掺入KBr压片中的分层MXene薄片上进行的。我们提供了MXenes的样品制备、数据收集和FTIR光谱解释的详细说明。应用背景校正和光谱平滑来获得对应于MXenes中键振动的清晰FTIR峰。密度泛函理论计算用于所有特征FTIR峰的精确归属和振动模式的深入分析。这项工作旨在为二维材料领域提供FTIR光谱技术，作为识别和分析MXenes的可靠方法。
