مشخصات پژوهش

عنوان	Molecular dynamics study of a new mechanism for ripple formation on graphene nanoribbons at very low temperatures based on H2 physisorption
نوع پژوهش	مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها	Graphene nanoribbon, Molecular dynamics simulation, Hydrogen adsorption, Ripple formation
چکیده	Hydrogen adsorption on graphene sheets is a promising new area of research. The physical interactions between adsorbed molecules and the graphene surface could drastically influence the morphology of the graphene sheet, producing a rippled structure even at very low temperatures when the contribution of thermal agitations is quite negligible. We have employed a series of very accurate molecular dynamics(MD) simulations to reveal the effect of H2 molecules adsorption on graphene nano ribbons (GNRs). To this end,the dependence of the degree of ripple-type distortion of the surface on the H2 coverage is examined. Furthermore, we have also considered the connection between the critical value of the H2 adsorption and the maximum induced deformation on the graphene structure. Overall, our findings provide crucial information for the performance of hydrogenated graphene, especially at very low temperatures.
پژوهشگران	هاشم رفیعی تبار (نفر سوم)، عباس منتظری هدش (نفر دوم)، سعداله ابراهیمی (نفر اول)