نوع مقاله : مقاله پژوهشی
نویسندگان
1 گروه فیزیک، واحد کرمانشاه، دانشگاه آزاد اسلامی ، کرمانشاه ، ایران
2 دانشکده شیمی، دانشکده فیزیک و نجوم، مرکز شبیه سازی مولکولی، مؤسسه علوم و فناوری کوانتومی، کوانتوم آلبرتا، دانشگاه کلگری، کلگری، آلبرتا کانادا
کلیدواژهها
عنوان مقاله English
نویسندگان English
In this research, the thermoelectric properties of two-dimensional Y₂CX₂ (X = F, Cl, Br, I, and O) structures have been investigated using semi-classical Boltzmann theory within the constant relaxation time approximation (CRTA) framework. These structures have been previously validated for structural, thermodynamic, dynamic, and mechanical stability, and their electronic, optical, and photovoltaic properties have been reported. In this study, key thermoelectric parameters were calculated and analyzed in the temperature range of 0 to 1000 K. Based on the obtained results, Y₂CCl₂ and Y₂CF₂ structures exhibit the highest thermoelectric performance with ZT values of approximately 0.578 and 0.410 at 300 K, respectively, demonstrating competitive performance compared to well-known materials such as MoS₂ (0.11), Ti₃C₂Tₓ (0.22), and Bi₂Te₃ (0.80). The comprehensive analysis of these results highlights the high potential of the Y₂CX₂ family of MXenes for converting thermal energy into electricity, particularly at high temperatures.
کلیدواژهها English
