Delocalised electron-holes on oxygen in a battery cathode

.

[1]  Sung Kwan Park,et al.  Coupling structural evolution and oxygen-redox electrochemistry in layered transition metal oxides , 2022, Nature Materials.

[2]  M. Whittingham,et al.  Pushing the limit of 3d transition metal-based layered oxides that use both cation and anion redox for energy storage , 2022, Nature Reviews Materials.

[3]  Chao Li,et al.  Stable electronic structure related with Mn4+O−• coupling determines the anomalous nonhysteretic behavior in Na2Mn3O7 , 2022, Energy Storage Materials.

[4]  C. Grey,et al.  Importance of Superstructure in Stabilizing Oxygen Redox in P3‐Na0.67Li0.2Mn0.8O2 , 2021, Advanced Energy Materials.

[5]  Yong‐Sheng Hu,et al.  Topologically protected oxygen redox in a layered manganese oxide cathode for sustainable batteries , 2021, Nature Sustainability.

[6]  P. Bruce,et al.  Covalency does not suppress O2 formation in 4d and 5d Li-rich O-redox cathodes , 2021, Nature Communications.

[7]  P. Bruce,et al.  Bulk O2 formation and Mg displacement explain O-redox in Na0.67Mn0.72Mg0.28O2 , 2021 .

[8]  P. Bruce,et al.  The role of O2 in O-redox cathodes for Li-ion batteries , 2021, Nature Energy.

[9]  Forrest S. Gittleson,et al.  Towards controlling the reversibility of anionic redox in transition metal oxides for high-energy Li-ion positive electrodes , 2021, Energy & Environmental Science.

[10]  A. Yamada,et al.  Nonpolarizing oxygen-redox capacity without O-O dimerization in Na2Mn3O7 , 2021, Nature Communications.

[11]  D. Kitchaev,et al.  Delocalized Metal-Oxygen π-Redox Is the Origin of Anomalous Nonhysteretic Capacity in Li-Ion and Na-Ion Cathode Materials. , 2020, Journal of the American Chemical Society.

[12]  William E. Gent,et al.  Coulombically-stabilized oxygen hole polarons enable fully reversible oxygen redox. , 2020, Energy & environmental science.

[13]  P. Bruce,et al.  First-cycle voltage hysteresis in Li-rich 3d cathodes associated with molecular O2 trapped in the bulk , 2020, Nature Energy.

[14]  William E. Gent,et al.  Design Rules for High-Valent Redox in Intercalation Electrodes , 2020 .

[15]  A. Yamada,et al.  Multiorbital bond formation for stable oxygen-redox reaction in battery electrodes , 2020 .

[16]  Tongchao Liu,et al.  Cationic and anionic redox in lithium-ion based batteries. , 2020, Chemical Society reviews.

[17]  Liquan Chen,et al.  Local structure adaptability through multi cations for oxygen redox accommodation in Li-Rich layered oxides , 2020, Energy Storage Materials.

[18]  P. Bruce,et al.  Superstructure control of first-cycle voltage hysteresis in oxygen-redox cathodes , 2019, Nature.

[19]  M. Ben Yahia,et al.  Unified picture of anionic redox in Li/Na-ion batteries , 2019, Nature Materials.

[20]  Gerbrand Ceder,et al.  Metal–oxygen decoordination stabilizes anion redox in Li-rich oxides , 2019, Nature Materials.

[21]  Bartolomeo Civalleri,et al.  Quantum‐mechanical condensed matter simulations with CRYSTAL , 2018 .

[22]  Jean-Marie Tarascon,et al.  Fundamental understanding and practical challenges of anionic redox activity in Li-ion batteries , 2018 .

[23]  J. Tarascon,et al.  Fundamental interplay between anionic/cationic redox governing the kinetics and thermodynamics of lithium-rich cathodes , 2017, Nature Communications.

[24]  William E. Gent,et al.  Coupling between oxygen redox and cation migration explains unusual electrochemistry in lithium-rich layered oxides , 2017, Nature Communications.

[25]  Yong‐Sheng Hu,et al.  Structure-Induced Reversible Anionic Redox Activity in Na Layered Oxide Cathode , 2017 .

[26]  Kei Mitsuhara,et al.  Origin of stabilization and destabilization in solid-state redox reaction of oxide ions for lithium-ion batteries , 2016, Nature Communications.

[27]  Paul E Brennan,et al.  Chemical probes and inhibitors of bromodomains outside the BET family† †The authors declare no competing interests. , 2016, MedChemComm.

[28]  Yutao Li,et al.  Exploring reversible oxidation of oxygen in a manganese oxide , 2016 .

[29]  C. Grey,et al.  Characterizing Oxygen Local Environments in Paramagnetic Battery Materials via (17)O NMR and DFT Calculations. , 2016, Journal of the American Chemical Society.

[30]  G. Ceder,et al.  The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials. , 2016, Nature chemistry.

[31]  K. Edström,et al.  Charge-compensation in 3d-transition-metal-oxide intercalation cathodes through the generation of localized electron holes on oxygen. , 2016, Nature chemistry.

[32]  J. Tarascon,et al.  The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries , 2016 .

[33]  J. Tarascon,et al.  Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries , 2015, Science.

[34]  K. Kubota,et al.  A new electrode material for rechargeable sodium batteries: P2-type Na2/3[Mg0.28Mn0.72]O2 with anomalously high reversible capacity , 2014 .

[35]  K Ramesha,et al.  Reversible anionic redox chemistry in high-capacity layered-oxide electrodes. , 2013, Nature materials.

[36]  Fiona C. Strobridge,et al.  Density Functional Theory-Based Bond Pathway Decompositions of Hyperfine Shifts: Equipping Solid-State NMR to Characterize Atomic Environments in Paramagnetic Materials , 2013 .

[37]  M. Whittingham,et al.  Spin-transfer pathways in paramagnetic lithium transition-metal phosphates from combined broadband isotropic solid-state MAS NMR spectroscopy and DFT calculations. , 2012, Journal of the American Chemical Society.

[38]  R. Ahuja,et al.  Unveiling the complex electronic structure of amorphous metal oxides , 2011, Proceedings of the National Academy of Sciences.

[39]  C. Grey,et al.  Linking local environments and hyperfine shifts: a combined experimental and theoretical (31)P and (7)Li solid-state NMR study of paramagnetic Fe(III) phosphates. , 2010, Journal of the American Chemical Society.

[40]  P. Biensan,et al.  Mechanisms Associated with the “Plateau” Observed at High Voltage for the Overlithiated Li1.12(Ni0.425Mn0.425Co0.15)0.88O2 System , 2008 .

[41]  John T. Vaughey,et al.  The significance of the Li2MnO3 component in ‘composite’ xLi2MnO3 · (1 − x)LiMn0.5Ni0.5O2 electrodes , 2004 .

[42]  J. M. Dundon.  17O NMR in liquid O2 , 1982 .

[43]  H. Monkhorst,et al.  SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS , 1976 .

[44]  H. Y. Playford,et al.  Detection of trapped molecular O2 in a charged Li-rich cathode by Neutron PDF , 2022, Energy & Environmental Science.

[45]  C. Delmas,et al.  Reversible Oxygen Participation to the Redox Processes Revealed for Li1.20Mn0.54Co0.13Ni0.13O2 , 2013 .