مشخصات پژوهش

عنوان	Adsorption of adenine molecule on 𝜒3 borophene nanosheets: A density functional theory study
نوع پژوهش	مقاله چاپ‌شده
کلیدواژه‌ها	density functional theory , adenine molecule, DNA sequencing devices
چکیده	In this paper, we use density functional theory (DFT) method to study the adsorption properties of adenine molecule on the 𝜒3 borophene nanosheets. The attributes of the adsorption at different molecule orientations and different selective positions are investigated. We found that interactions between adenine and selective points on borophene sheets result in chemical and physical adsorption that in some cases, high adsorption energy and charge transfer occurs well. Results indicate the strong potential of borophene in adsorption of the adenine molecule, so this two-dimensional material could be a suitable candidate for future DNA sequencing devices
پژوهشگران	محمد باقر توکلی (نفر پنجم)، یاور تقی پور آذر (نفر سوم)، اشکان حری (نفر دوم)، شیرین سبک دست (نفر اول)، مریم مومنی (نفر چهارم)