THE INFLUENCE OF NICKEL AND COBALT ALLOY MODIFICATIONS ON INTERCALATION VOLTAGE IN SODIUM-ION BATTERY CATHODES NA3V2(PO4)3

• Main Author: Hafizh Rifa'i, A.
• Format: Theses
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/86794
• Institution: Institut Teknologi Bandung

The NASICON (Na superionic conductor) NVP / Na3V2(PO4)3 cathode is one of the promising and extensively researched cathodes. This is due to its rapid Na+ diffusion rate, good structural stability, high energy density, and excellent electrochemical performance. On the other hand, vanadium, one of the components in NVP, is a toxic element, limited in nature, and expensive. In this study, a quantum mechanical numerical modeling approach based on Density Functional Theory (DFT) was used to investigate the effects of nickel and cobalt alloy modifications at a 25% concentration on the NVP cathode. Based on simulation results, the intercalation voltage range for pristine NVP cathode / NaxV2(PO4)3 with x = 1 to 4 was 2.683 to 3.678 V (?V=0.994V). The intercalation voltage range for nickel-alloyed NVP / NaxV1.5Ni0.5(PO4)3 with x = 1 to 4 was 3.116 to 4.022 V (?V=0.907V). The intercalation voltage range for cobalt-alloyed NVP / NaxV1.5Co0.5(PO4)3 with x = 1 to 4 was 3.029 to 3.950 V (?V=0.921V). In general, our results indicate that the NVP cathode with nickel and cobalt alloy in 25% concentrations possibly increase the intercalation voltage but decrease the intercalation voltage range which can be beneficial for further utilization of NVP-based cathode materials. Keywords: Cathode, NASICON, Diffusion, DFT, Intercalation Voltage.