Enhancing P2/O3 Biphasic Cathode Performance for Sodium‐Ion Batteries: A Metaheuristic Approach to Multi‐Element Doping Design

• Published in: Small (Weinheim an der Bergstrasse, Germany) Germany), 2024-09, Vol.20 (38), p.e2402585-n/a
• Main Authors: Paidi, Anil K, Park, Woon Bae, Paidi, Vinod K, Lee, Jinhyeok, Lee, Kug‐Seung, Ahn, Hyungju, Avdeev, Maxim, Chae, Keun Hwa, Pyo, Myoungho, Wu, Junxiu, Sohn, Kee‐Sun, Ahn, Docheon, Lu, Jun
• Format: Article
• Language: English
• Subjects: Algorithms; biphasic; Cathodes; Doping; Electrochemical analysis; Electrode materials; Electrons; Error analysis; Heuristic methods; in situ X‐ray diffraction; layered oxide; Lithium-ion batteries; OP4 phase; P2/O3 phase; phase transformation; Phase transitions; Sodium; Sodium-ion batteries; Structural analysis; Structural stability; sustainable cathode; Z phase
• ISSN: 1613-6810; 1613-6829; 1613-6829
• DOI: 10.1002/smll.202402585

Sodium‐ion batteries (SIBs) have emerged as a compelling alternative to lithium‐ion batteries (LIBs), exhibiting comparable electrochemical performance while capitalizing on the abundant availability of sodium resources. In SIBs, P2/O3 biphasic cathodes, despite their high energy, require furthur improvements in stability to meet current energy demands. This study introduces a systematic methodology that leverages the meta‐heuristically assisted NSGA‐II algorithm to optimize multi‐element doping in electrode materials, aiming to transcend conventional trial‐and‐error methods and enhance cathode capacity by the synergistic integration of P2 and O3 phases. A comprehensive phase analysis of the meta‐heuristically designed cathode material Na0.76Ni0.20Mn0.42Fe0.30Mg0.04Ti0.015Zr0.025O2 (D‐NFMO) is presented, showcasing its remarkable initial reversible capacity of 175.5 mAh g−1 and exceptional long‐term cyclic stability in sodium cells. The investigation of structural composition and the stabilizing mechanisms is performed through the integration of multiple characterization techniques. Remarkably, the irreversible phase transition of P2→OP4 in D‐NFMO is observed to be dramatically suppressed, leading to a substantial enhancement in cycling stability. The comparison with the pristine cathode (P‐NFMO) offers profound insights into the long‐term electrochemical stability of D‐NFMO, highlighting its potential as a high‐voltage cathode material utilizing abundant earth elements in SIBs. This study opens up new possibilities for future advancements in sodium‐ion battery technology. A robust cathode for sodium‐ion batteries (SIBs) developed using the non‐dominated sorting genetic algorithm (NSGA‐II) algorithm is presented. This method efficiently optimizes multi‐element doping, overcoming the limitations of traditional trial‐and‐error approaches. The resulting cathode exhibits high operating voltage, energy density, and structural stability, effectively addressing the growing energy demands with sustainable materials.