EFFECT OF MANGANESE ALLOY ATOM CONCENTRATION LEVEL ON THE INTERCALATION VOLTAGE AND REDOX MECHANISM IN NA3V2-XMNX(PO4)3 AS A SODIUM ION BATTERY CATHODE

• Main Author: Widiyanto, Himawan
• Format: Theses
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/86795
• Institution: Institut Teknologi Bandung

Vanadium as one of the components in the Na3V2(PO4)3 (NVP)cathode Na-ion batteries material is a toxic element and has limited natural abundance. Partial or even complete replacement of V without significantly sacrificing the NVP overall electrochemical performance is desirable. Using comprehensive first-principles density functional theory (DFT)-based calculations, this study investigates the effect of Manganese (Mn) alloying on the intercalation voltage of the Na3V2(PO4)3 cathode. The addition of Mn into the NVP in three different concentrations (25%, 50%, and 100%) is directly proportional to the increase in the intercalation voltage level. The addition of 25% Mn alloy changes the intercalation voltage range of pristine NVP i.e. 1.3 V ~2.3 V to 1.7~2.5 V. Whereas, the complete replacement of V with Mn i.e. 100% MnV changes the intercalation voltage of NMnP to 2.9 V ~ 3.0 V. In general, the findings show that controlling the alloy concentration is important to obtain the desired range of intercalation voltage values depending on the intended application the Mn-alloy NVP-based cathode. This result in line with the decreasing cell volume of as more Mn is added. These enhancements make Manganese-alloyed NVP a promising choice for high-performance sodium-ion battery cathodes Keywords: Katoda, Vanadium, DFT, Alloy, Intercalation Voltage