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2022•MaterialsOpen access

Effective Method for the Determination of the Unit Cell Parameters of New MXenes

Alexander Vyacheslavovich Syuy, Dmitry Sergeevich Shtarev, А. О. Лембиков, Mikhail S. Gurin, R. Kevorkyants, Gleb I. Tselikov, Aleksey V. Arsenin, Valentyn S. Volkov

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Abstract

MXenes are of great practical interest. While the physical properties of such a well-known MAX phase as Ti3AlC2 and the Ti3C2 MXene that is based on it have been widely studied, it is extremely important to study the properties of new four-component MAX-phases and the MXenes based on them. To do this, first, it is necessary to characterize the obtained materials. In this work, the Ti3−xNbxC2 MXene was characterized. Since the material is fairly new, there are no crystallographic data for such systems in the international databases. We proposed a method for the determination of the main unit cell parameters of the new Ti3−xNbxC2 MXene, which was based on a combination of the DFT method, TEM studies, and an X-ray diffraction analysis.

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What this paper is about

MXenes are of great practical interest. While the physical properties of such a well-known MAX phase as Ti3AlC2 and the Ti3C2 MXene that is based on it have been widely studied, it is extremely important to study the properties of new four-component MAX-phases and the MXenes based on them. To do this, first, it is necessary to characterize the obtained materials. In this work, the Ti3−xNbxC2 MXene was characterized. Since the material is fairly new, there are no crystallographic data for such systems in the international databases. We proposed a method for the determination of the main unit cell parameters of the new Ti3−xNbxC2 MXene, which was based on a combination of the DFT method, TEM studies, and an X-ray diffraction analysis.

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Available abstract

MXenes are of great practical interest. While the physical properties of such a well-known MAX phase as Ti3AlC2 and the Ti3C2 MXene that is based on it have been widely studied, it is extremely important to study the properties of new four-component MAX-phases and the MXenes based on them. To do this, first, it is necessary to characterize the obtained materials. In this work, the Ti3−xNbxC2 MXene was characterized. Since the material is fairly new, there are no crystallographic data for such systems in the international databases. We proposed a method for the determination of the main unit cell parameters of the new Ti3−xNbxC2 MXene, which was based on a combination of the DFT method, TEM studies, and an X-ray diffraction analysis.

Key concepts: MXenes, Unit (ring theory), Materials science, Mathematics, Nanotechnology, Mathematics education

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