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Capturing the hole states of oxygen

NATURE ENERGY (2023)

Delocalized electron holes on oxygen in a battery cathode

Robert A. House et al.

Summary: Oxide ions in transition metal oxide cathodes can store charge at high voltage. However, during charging, the oxidized oxide ions form trapped O-2, resulting in undesirable voltage hysteresis. By studying ribbon-ordered Na-0.6[Li0.2Mn0.8]O-2, the authors discovered the delocalized electron holes on oxide ions before O-2 formation. The understanding of these hole states is crucial for realizing reversible high-voltage O-redox cathodes.

NATURE ENERGY (2023)

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Article Chemistry, Multidisciplinary

Delocalized Metal-Oxygen π-Redox Is the Origin of Anomalous Nonhysteretic Capacity in Li-Ion and Na-Ion Cathode Materials

Daniil A. Kitchaev et al.

Summary: The study presents the first consistent mechanism of nonhysteretic oxidation beyond the transition metal limit, explaining the electrochemical and structural evolution of Na2Mn3O7 and Li2IrO3 model materials. The source of anomalous nonhysteretic capacity is identified as a pi-bonded metal-d and O-p orbital network, enabled by a unique resistance to transition metal migration. Voltage, accessible capacity, and structural evolution upon oxidation are shown to be collective properties of the pi-network rather than local bonding environments.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

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Article Multidisciplinary Sciences

Superstructure control of first-cycle voltage hysteresis in oxygen-redox cathodes

Robert A. House et al.

NATURE (2020)

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Article Chemistry, Physical

Voltage decay and redox asymmetry mitigation by reversible cation migration in lithium-rich layered oxide electrodes

Donggun Eum et al.

NATURE MATERIALS (2020)

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Article Energy & Fuels

First-cycle voltage hysteresis in Li-rich 3dcathodes associated with molecular O2trapped in the bulk

Robert A. House et al.

NATURE ENERGY (2020)

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Article Multidisciplinary Sciences

Coupling between oxygen redox and cation migration explains unusual electrochemistry in lithium-rich layered oxides

William E. Gent et al.

NATURE COMMUNICATIONS (2017)

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Capturing the hole states of oxygen

相关参考文献

Delocalized electron holes on oxygen in a battery cathode

Delocalized Metal-Oxygen π-Redox Is the Origin of Anomalous Nonhysteretic Capacity in Li-Ion and Na-Ion Cathode Materials

Superstructure control of first-cycle voltage hysteresis in oxygen-redox cathodes

Voltage decay and redox asymmetry mitigation by reversible cation migration in lithium-rich layered oxide electrodes

First-cycle voltage hysteresis in Li-rich 3dcathodes associated with molecular O2trapped in the bulk

Coupling between oxygen redox and cation migration explains unusual electrochemistry in lithium-rich layered oxides

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