Comprehensive Computational Analysis for Exploring Physical Properties of Mechanically Robust 2D MXenes X3C2 (X= Ti, Hf): Efficient Materials for Optoelectronic Applications

Key Points

• Physical properties of 2D mxenes are essential for optoelectronic applications, highlighting their mechanical robustness.
• The computational analysis provides a comprehensive understanding of X3C2 mxenes, showcasing pairs of titanium and hafnium variants.
• Investigative assessments focus on the relationship between mechanical strength and optoelectronic functionality of MXenes.
• These findings support the development of advanced materials in the field of optoelectronics, encouraging further exploration.