Exploring the enhanced performance of Sb 2 S 3 /doped‐carbon composites as potential anode materials for sodium‐ion batteries: A density functional theory approach

• Published in: International journal of quantum chemistry Vol. 121; no. 21
• Main Authors: El Hachimi, Abdel Ghafour, Guillén‐López, Alfredo, Jaramillo‐Quintero, Oscar A., Rincón, Marina E., Sevilla‐Camacho, Perla Yazmín, Muñiz, Jesús
• Format: Journal Article
• Language: English
• Published: 05.11.2021
• ISSN: 0020-7608; 1097-461X
• DOI: 10.1002/qua.26779

The improvement of performance in sodium ion batteries is a subject of intense research. In this work, a first principle calculations study at the density functional level on the adsorption process of Na adatoms into Sb 2 S 3 /carbon (Sb 2 S 3 /CM) and Sb 2 S 3 /heteroatom doped‐carbon (Sb 2 S 3 /S‐...