مشخصات پژوهش

عنوان	A molecular dynamics investigation of buckling behaviour of hydrogenated graphene
نوع پژوهش	مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها	hydrogen adsorption, graphene nanoribbon, molecular dynamics simulation, buckling
چکیده	Molecular dynamics simulations have been performed to characterise the stability behaviour of graphene nanoribbons having different hydrogen coverage, subject to a uniaxial compressive load. The temperature is set at a very low value to circumvent the contribution of thermal agitations. The results show that hydrogen coverage promotes to a rapid drop in the strain of buckling onset due to the effects of easy rotation of newly unsupported sp3 bonds. Furthermore, we have also found a critical value of the hydrogen adsorption above which the declining trend in the stability behaviour of hydrogenated graphene nanoribbons is reversed.
پژوهشگران	هاشم رفیعی تبار (نفر سوم)، سعداله ابراهیمی (نفر دوم)، عباس منتظری هدش (نفر اول)