نوع مقاله : مقاله پژوهشی
نویسندگان
گروه شیمی، دانشکده علوم، دانشگاه شهید چمران اهواز، اهواز، ایران
چکیده
چکیده تصویری
کلیدواژهها
موضوعات
عنوان مقاله [English]
نویسندگان [English]
Lithium - ion batteries (LIBs) are good alternative to traditional energy sources, which are considerably used in electronic devices. These sources have high energy density and long life. For this purpose, an attempt is made to design batteries based on nanostructures that have a significant voltage. In this study, the application of decaborane (B10H14) and its fluorinated derivatives in anode of Lithium-ion batteries is investigated using density functional theory (DFT) calculations. The results indicate that the cell voltage in decaborane (B10H14) is negative, which is unfavorable. One strategy to improve the function of decaborane is based on the substitution of hydrogen atoms in different positions with fluorine atoms. This can improve the cell function and increase the cell voltage remarkably to +1.10 Volt. This results might be useful for the design of novel inorganic-based anode materials for lithium-ion batteries. we hope the results provide meaningful insights for developing Lithium - ion batteries.
کلیدواژهها [English]