1403/02/04
سعداله ابراهیمی

سعداله ابراهیمی

مرتبه علمی: استادیار
ارکید:
تحصیلات: دکترای تخصصی
اسکاپوس: 16177495900
دانشکده: دانشکده علوم پایه
نشانی: دانشگاه کردستان؛ دانشکده علوم؛ اتاق: 533
تلفن: 087-33664600 (4269)

مشخصات پژوهش

عنوان
A molecular dynamics investigation of buckling behaviour of hydrogenated graphene
نوع پژوهش
JournalPaper
کلیدواژه‌ها
hydrogen adsorption, graphene nanoribbon, molecular dynamics simulation, buckling
سال
2014
مجله Molecular Simulation
شناسه DOI
پژوهشگران Abbas Montazeri ، Sadollah Ebrahimi ، Hashem Rafii-Tabar

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.