Experimental and computational advancement of cathode materials for futuristic sodium ion batteries

• Published in: Materials today (Kidlington, England) England), 2023-07
• Main Authors: Satrughna, Jena Akash Kumar, Kanwade, Archana, Srivastava, Abhishek, Tiwari, Manish Kumar, Yadav, Subhash Chand, Teja Akula, Surya, Shirage, Parasharam M.
• Format: Article
• Language: English
• Subjects: Cathode material; Density functional theory; First principles; Organic compounds; Polyanionic compound; Prussian blue analogues; Sodium-Ion Battery; Transition metal oxide
• ISSN: 1369-7021; 1873-4103
• DOI: 10.1016/j.mattod.2023.06.013

Various types of promising cathodes for SIBs along with few of their advantages and disadvantages. [Display omitted] •In this review, we have summarized the present and past advancements of various cathode materials for SIBs.•A narrative description has been given for both the experimental and first principle-based theoretical methods for the development and study of structural and electrochemical performances of various advanced cathode materials.•Various first principles-based density functional theory (DFT) calculation approaches and strategies are discussed to improve the electrochemical performance of various kinds of cathode materials.•The challenges and the effective strategies to boost the development of cathode materials for SIBs are also discussed. Owing to the earth’s abundance and wide availability of natural sodium sources, sodium-ion batteries (SIBs) are potential alternatives to lithium-ion batteries (LIBs). SIBs showcase similar chemistry to LIBs making them likely competitors for smart grid-scale and large-scale energy storage systems. The performance and practical development of SIBs are dependent upon selecting suitable electrodes, electrolytes, additives, and binder materials. This review summarizes the advancement of various cathode materials for SIBs along with other crucial components. Approaches used to improve the electrochemical performance of cathode materials are discussed along with critical challenges and assessments to boost the development of SIBs. We discuss past and present research on advanced cathode materials and propose future strategies for the betterment of SIBs. A major focus is given to theoretical along with experimental work on cathode materials. This review article provides a detailed explanation of the theoretical calculation such as the energy band structure, total density of states, partial/projected density of states, Na+ storage mechanism, and stability through density functional theory (DFT) for various cathode materials. We hope and believe this article will light on some insights into the basic of SIBs and the development of advanced cathode materials.