Intercalation of Li Atoms in TaSe2 Film's Anode with LiClO4/PEO Polymer Electrolyte: First Principles Calculation

Using the methods of electron density functional and pseudopotential from the first principles, the total energy, energy reliefs and migration barriers of Li atoms in the interlayer space of layers of anode material made of 2H-TaSe2, 2H-TaSe2 with molecules of polymer electrolytes LiClO4, PEO and Li...

Full description

Bibliographic Details
Main Authors: Yu. O. Prikhozha, R.M. Balabai
Format: Article
Language:English
Published: Vasyl Stefanyk Precarpathian National University 2022-03-01
Series:Фізика і хімія твердого тіла
Subjects:
Online Access:https://journals.pnu.edu.ua/index.php/pcss/article/view/5667