Synergistic Molecular Engineering Strategies for Enhancing Diffusion Kinetics and Interfacial Stability of the δ‐MnO2 Cathode in Aqueous Zinc‐Ion Batteries DOI Creative Commons

Yaxi Ding,

Keming Zhu,

Haoqu Jin

et al.

Carbon Energy, Journal Year: 2025, Volume and Issue: unknown

Published: May 7, 2025

ABSTRACT Layered manganese dioxide (δ‐MnO 2 ) is a promising cathode material for aqueous zinc‐ion batteries (AZIBs) due to its high theoretical capacity, operating voltage, and low cost. However, practical application faces challenges, such as electronic conductivity, sluggish diffusion kinetics, severe dissolution of Mn 2+ . In this study, we developed δ‐MnO coated with 2‐methylimidazole @2‐ML) hybrid cathode. Density functional theory (DFT) calculations indicate that 2‐ML can be integrated into through both pre‐intercalation surface coating, thermodynamically favorable outcomes. This modification expands the interlayer spacing generates Mn–N bonds on surface, enhancing Zn accommodation kinetics well stabilizing sites. The experimentally prepared @2‐ML cathode, predicted by DFT, features providing more insertion sites improved structural stability. Furthermore, X‐ray diffraction shows expanded spacing, which effectively buffers local electrostatic interactions, leading an enhanced rate. Consequently, optimized presents electrochemical performance stability, fabricated AZIBs exhibit specific capacity (309.5 mAh/g at 0.1 A/g), superior multiplicative (137.6 1 impressive retention (80% after 1350 cycles A/g). These results surpass most manganese‐based vanadium‐based materials reported date. dual‐modulation strategy, combining engineering interface optimization, offers straightforward scalable approach, potentially advancing commercial viability low‐cost, high‐performance AZIBs.

Language: Английский

Synergistic Molecular Engineering Strategies for Enhancing Diffusion Kinetics and Interfacial Stability of the δ‐MnO2 Cathode in Aqueous Zinc‐Ion Batteries DOI Creative Commons

Yaxi Ding,

Keming Zhu,

Haoqu Jin

et al.

Carbon Energy, Journal Year: 2025, Volume and Issue: unknown

Published: May 7, 2025

ABSTRACT Layered manganese dioxide (δ‐MnO 2 ) is a promising cathode material for aqueous zinc‐ion batteries (AZIBs) due to its high theoretical capacity, operating voltage, and low cost. However, practical application faces challenges, such as electronic conductivity, sluggish diffusion kinetics, severe dissolution of Mn 2+ . In this study, we developed δ‐MnO coated with 2‐methylimidazole @2‐ML) hybrid cathode. Density functional theory (DFT) calculations indicate that 2‐ML can be integrated into through both pre‐intercalation surface coating, thermodynamically favorable outcomes. This modification expands the interlayer spacing generates Mn–N bonds on surface, enhancing Zn accommodation kinetics well stabilizing sites. The experimentally prepared @2‐ML cathode, predicted by DFT, features providing more insertion sites improved structural stability. Furthermore, X‐ray diffraction shows expanded spacing, which effectively buffers local electrostatic interactions, leading an enhanced rate. Consequently, optimized presents electrochemical performance stability, fabricated AZIBs exhibit specific capacity (309.5 mAh/g at 0.1 A/g), superior multiplicative (137.6 1 impressive retention (80% after 1350 cycles A/g). These results surpass most manganese‐based vanadium‐based materials reported date. dual‐modulation strategy, combining engineering interface optimization, offers straightforward scalable approach, potentially advancing commercial viability low‐cost, high‐performance AZIBs.

Language: Английский

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