Змочування графену метанолом або водою

• Date: 2019
• Main Authors: Barylka, A. G., Balabai, R. M.
• Format: Article
• Language: English; Ukrainian
• Published: Publishing house "Academperiodika" 2019
• Subjects: метод функцiонала електронної густини; метод псевдопотенцiалу; графен; вода; метанол
• Online Access: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019163
• Journal Title: Ukrainian Journal of Physics

The spatial distributions of the valence-electron density and the total energy reliefs for water (or methanol) migration on the free surface of graphene are obtained, by using the electron density functional and ab initio pseudopotential methods. Water and methanol molecules are found to migrate alo...