Zhanadilov, Orynbay Baiju, Sourav Voronina, Natalia Yu, Jun Ho Kim, A-Yeon Jung, Hun-Gi Ihm, Kyuwook Guillon, Olivier Kaghazchi, Payam Myung, Seung-Taek 2024-07-26T05:30:37Z 2024-07-26T05:30:37Z 2024-07-25 2024-07 2311-6706 https://pubs.kist.re.kr/handle/201004/150304 Vacancy in the transition metal layer of sodium cathode material induces the formation lone-pair electrons in the O 2p orbital.Material delivers more capacity from the oxygen redox validated by density functional calculation.Widened dominance of the OP4 phase without releasing O2 gas. This study explores the impact of introducing vacancy in the transition metal layer of rationally designed Na0.6[Ni0.3Ru0.3Mn0.4]O2 (NRM) cathode material. The incorporation of Ru, Ni, and vacancy enhances the structural stability during extensive cycling, increases the operation voltage, and induces a capacity increase while also activating oxygen redox, respectively, in Na0.7[Ni0.2VNi0.1Ru0.3Mn0.4]O2 (V-NRM) compound. Various analytical techniques including transmission electron microscopy, X-ray absorption near edge spectroscopy, operando X-ray diffraction, and operando differential electrochemical mass spectrometry are employed to assess changes in the average oxidation states and structural distortions. The results demonstrate that V-NRM exhibits higher capacity than NRM and maintains a moderate capacity retention of 81% after 100 cycles. Furthermore, the formation of additional lone-pair electrons in the O 2p orbital enables V-NRM to utilize more capacity from the oxygen redox validated by density functional calculation, leading to a widened dominance of the OP4 phase without releasing O2 gas. These findings offer valuable insights for the design of advanced high-capacity cathode materials with improved performance and sustainability in sodium-ion batteries. English Shanghai Jiao Tong University Press Impact of Transition Metal Layer Vacancy on the Structure and Performance of P2 Type Layered Sodium Cathode Material Article 10.1007/s40820-024-01439-9 1 Nano-Micro Letters, v.16, no.1 Nano-Micro Letters 16 1 Y scie scopus 001264785500001 2-s2.0-85197776158 Nanoscience & Nanotechnology Materials Science, Multidisciplinary Physics, Applied Science & Technology - Other Topics Materials Science Physics Article ANIONIC REDOX OXIDE CATHODE LI NICKEL Sodium battery Vacancy Cathode Layered oxide Oxygen evolution