Електроннi властивостi функцiоналiзованих графенових нанострiчок

• Date: 2018
• Main Author: Balabai, R. M.
• Format: Article
• Language: English; Ukrainian
• Published: Publishing house "Academperiodika" 2018
• Subjects: графеновi нанострiчки; метод функцiонала електронної густини; метод псевдопотенцiалу
• Online Access: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018307
• Journal Title: Ukrainian Journal of Physics

Distributions of valence electron density in and the electron energy spectrum of graphene nanoribbons covered with hydrogen, fluorine, or oxygen atoms have been calculated ab initio in the framework of the density functional and pseudopotential theories. The emergence of a forbidden gap for graphene...