Mohamad Rodhi Faiz, Sujito, Langlang Gumilar, Hanif Rifai Adha, Henji Yulton, M.H. Abdullah
The advancement of high-performance lithiumion batteries (LIBs) depends on the discovery of efficient anode materials. Graphene oxide (GO) has emerged as a promising option due to its exceptional mechanical and electrochemical characteristics. In this theoretical research, we employed density functional theory (DFT) simulations to analyze the electronic and electrical properties of GO-based LIB anodes. Our findings reveal that GO exhibits good cell voltage and high lithium storage capacity, facilitated by oxygen containing groups that improve lithium ion intercalation. Furthermore, the charge transfer and HOMO-LUMO energy gap of GO indicate semiconducting behavior, which can be tuned by adjusting the configuration of oxide functional groups. This study offers valuable insights into GO's potential as an anode material for LIBs and suggests directions for future experimental research to optimize its performance. © 2025 IEEE.
State University of Malang Jl. Semarang, Department of Electrical Engineering and Informatics, East Java, Malang, 65145, Indonesia; Universiti Teknologi Mara Cawangan, School of Electrical Engineering, College of Engineering, Pulau Pinang, Permatang Pauh, 13500, Malaysia
