A density functional study on the mechanical properties of metal-free two-dimensional polymer graphitic Carbon-Nitride
عنوان مقاله: A density functional study on the mechanical properties of metal-free two-dimensional polymer graphitic Carbon-Nitride
شناسه ملی مقاله: JR_IJND-8-3_006
منتشر شده در در سال 1396
شناسه ملی مقاله: JR_IJND-8-3_006
منتشر شده در در سال 1396
مشخصات نویسندگان مقاله:
Shahram Ajori - Department of Mechanical Engineering, University of Guilan, Rasht, Iran
Reza Ansari - Department of Mechanical Engineering, University of Guilan, Rasht, Iran
Sina malakpour - Department of Mechanical Engineering, University of Guilan, Rasht, Iran
خلاصه مقاله:
Shahram Ajori - Department of Mechanical Engineering, University of Guilan, Rasht, Iran
Reza Ansari - Department of Mechanical Engineering, University of Guilan, Rasht, Iran
Sina malakpour - Department of Mechanical Engineering, University of Guilan, Rasht, Iran
Successful synthesis of the stable metal-free two-dimensional polymer graphitic carbon-nitride with remarkable properties has made it as one of the most promising nanostructures in many novel nanodevices, especially photocatalytic ones. Understanding the mechanical properties of nanostructures is of crucial importance. Thus, this study employs density functional theory (DFT) to obtain the mechanical properties of graphene-like graphitic carbon-nitride (g-C۳N۴) nanosheets such as Young’s, bulk and shear moduli and Poisson’s ratio. Based on the results, Young’s, bulk and shear moduli of this nanosheet are lower than those of graphene and hexagonal boron-nitride sheet. Besides, it is observed that the values of the aforementioned properties for graphene-like g-C۳N۴ nanosheets are higher than those of porous graphene and SiC. It is further observed that the Poisson’s ratio of graphene-like g-C۳N۴ nanosheets is lower than those of any similar two-dimensional graphitic structures.
کلمات کلیدی: Bulk modulus, density functional theory, Graphitic carbon-nitride, Shear modulus, Young’s Modulus
صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/1483353/