Role of transition metals in a charge transfer mechanism and oxygen removal in Li 1.17 Ni 0.17 Mn 0.5 Co 0.17 O 2 : experimental and first-principles analysis

• Published in: Physical chemistry chemical physics : PCCP Vol. 20; no. 29; pp. 19606 - 19613
• Main Authors: Sarkar, Tanmay, Prakasha, Kunkanadu R, Bharadwaj, Mridula Dixit, Prakash, Annigere S
• Format: Journal Article
• Language: English
• Published: England 25.07.2018

Oxygen removal from high capacity Li-rich layered oxide Li1.17Ni0.17Mn0.5Co0.17O2 affects the charge transfer process during cycling. During de-lithiation, oxygen removal takes place with the reduction in oxygen binding energy. Co substitution affects oxygen removal by shifting the O-p orbital close...