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1. Electronic and magnetic structures of bilayer La 3 Ni 2 O 6 and trilayer La 4 Ni 3 O 8 nickelates from first principles

   https://doi.org/10.1103/PhysRevB.84.180411  

   Sarkar, Soumyajit ; Dasgupta, I. ; Greenblatt, Martha ; Saha-Dasgupta, T. ( November 2011 , Physical Review B)
2. One-proton and one-neutron knockout reactions from N=Z=28Ni56 to the A=55 mirror pair Co55 and Ni55

   https://doi.org/10.1103/PhysRevC.99.051304  

   Spieker, M. ; Gade, A. ; Weisshaar, D. ; Brown, B. A. ; Tostevin, J. A. ; Longfellow, B. ; Adrich, P. ; Bazin, D. ; Bentley, M. A. ; Brown, J. R. ; et al ( May 2019 , Physical Review C)
3. Charge Radii of Ni55,56 Reveal a Surprisingly Similar Behavior at N=28 in Ca and Ni Isotopes

   https://doi.org/10.1103/PhysRevLett.129.132501  

   Sommer, Felix ; König, Kristian ; Rossi, Dominic M. ; Everett, Nathan ; Garand, David ; de Groote, Ruben P. ; Holt, Jason D. ; Imgram, Phillip ; Incorvati, Anthony ; Kalman, Colton ; et al ( September 2022 , Physical Review Letters)
4. Quadrupole Transition Strength in the Ni74 Nucleus and Core Polarization Effects in the Neutron-Rich Ni Isotopes

   https://doi.org/10.1103/PhysRevLett.113.182501  

   Marchi, T. ; de Angelis, G. ; Valiente-Dobón, J. J. ; Bader, V. M. ; Baugher, T. ; Bazin, D. ; Berryman, J. ; Bonaccorso, A. ; Clark, R. ; Coraggio, L. ; et al ( October 2014 , Physical Review Letters)
5. Ab initio determination of a simultaneous dual-ion charging mechanism for Ni 0.25 Mn 0.75 O 2 through redox reactions of Ni 2+ /Ni 4+ and O 2- /O -

   https://doi.org/10.1039/D2TA03938A  

   Shepard, Robert ; Brennan, Scott ; Juran, Taylor R ; Young, Joshua ; Smeu, Manuel ( July 2022 , Journal of Materials Chemistry A)

   Over recent years, great efforts have been made to push the limits of layered transition metal oxides for secondary battery cathodes. This is particularly true for overall capacity, which has reached a terminal theoretical value for many materials. One avenue for increasing this capacity during charging is the intercalation of anions post cation deintercalation. This work investigates the charging mechanism of the P3-Na0.5Ni0.25 Mn0.75O2 cathode material through cation (Na) deintercalation and anion (ClO4) intercalation by means of density functional theory. The calculations corroborate experimental findings of increased capacity (135 mAh g-1 to 180 mAh g-1) through the intercalation of anions. However, this work demonstrates that a process of simultaneous cation deintercalation/anion intercalation is the primary charging mechanism, with charge compensation reactions of Ni2+/Ni4+ and O2-/O- occurring within the cathode material. To elucidate this simultaneous process, a novel method for computationally determining anion voltage in which one must consider full electrolyte interactions is proposed. Based on the results, it is believed that a simultaneous cation deintercalation/anion intercalation mechanism provides one potential avenue for the discovery of the next generation of secondary batteries. 

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