Thasitha Sirinee, Tsuppayakorn-Aek Prutthipong, Udomkijmongkol Anan, Khammuang Satchakorn, Kaewmaraya Thanayut, Hussain Tanveer, Bovornratanaraks Thiti, Kotmool Komsilp
College of Advanced Manufacturing Innovation, King Mongkut's Institute of Technology Ladkrabang, Bangkok 10520, Thailand.
Extreme Conditions Physics Research Laboratory and Center of Excellence in Physics of Energy Materials (CE:PEM), Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand.
Phys Chem Chem Phys. 2024 Jul 24;26(29):19696-19704. doi: 10.1039/d4cp01215a.
The unique attributes of hydrophilicity, expansive surface groups, remarkable flexibility, and superior conductivity converge in MXene, a pioneering 2D material. Owing to MXene's exceptional properties, diverse strategies have been explored to enhance its characteristics. Janus MXene and stress-strain response considerations represent the primary avenues of interest today. In this study, we investigated the Janus MXene structure under biaxial stress using first-principles calculations. The most stable configuration of Janus MoWC MXene identified in our analysis exhibits an atomic arrangement known as the hexagonal (2H) phase. Subsequently, we examined the mechanical and electronic properties of 2H-MoWC when subjected to biaxial strain. Our findings indicate that the 2H phase of Janus MoWC MXene demonstrates superior strength compared to the tetragonal (1T) phase. Analysis of the ELF of the 2H-MoWC structure unveiled that the robust C-C bond within the material is the underlying factor enabling the 2H phase to withstand a maximum of 9% tensile strain. Furthermore, we demonstrate that 2H-MoWC is a superconductor with the superconducting temperature () of 1.6 K, and the superconductivity of 2H phase can be enhanced by biaxial strain with the reaching 7 K. This study offers comprehensive insights into the properties of Janus MoWC monolayer under biaxial stress, positioning it as a promising candidate for 2D straintronic applications.
