@article{Xia2026, 
author = {Pengyang Xia and Xuefeng Zou and Zutao Zhu and Kaiwen Zhang and Mingyang Chen and Liang Luo and Linfang Hu and Yao Zhang and Yang Zhou and Lijin Yan and Bin Xiang and Zhenyue Xing and Xiaodong Shi},
title = {Unveiling the action mechanism of synergistic d/p-band center modulation on the zinc storage capability of industrial-grade MnO2 cathode},
year = {2026},
journal = {Nano Research Energy},
keywords = {zinc-ion batteries, manganese dioxide, d/p-band center, oxygen vacancy, scalable application},
url = {https://www.sciopen.com/article/10.26599/NRE.2026.9120255},
doi = {10.26599/NRE.2026.9120255},
abstract = {Sluggish reaction kinetic, high-energy barrier and poor structural stability lead to rapid capacity decay and terrible self-charging properties, becoming major obstacles in using industrial-grade manganese dioxide (MnO2) as a cathode in aqueous zinc-ion batteries (AZIBs). To address this challenge, we herein report a d/p-band center-modulated MnO2 via a facile mechanical ball-milling method using industrial-grade MnO2 as the precursor. Systematic characterization and theoretical calculations reveal that oxygen vacancy (Ov) serves as favorable adsorption sites, synergistically strengthening the interfacial stability for both Zn2+ and H+ ions. Critically, the structural defect substantially reduces migration barriers, facilitating solid-state Zn2+ diffusion within the MnO2 lattice and enabling ultrafast Grotthuss-type proton transport. Furthermore, the modified electronic structure around Ov effectively suppresses Jahn-Teller distortions and mitigates cyclic lattice strain, thereby inhibiting irreversible phase transformation. The d/p-band center modulated MnO2 delivers a high initial discharge capacity of 339.7 mAh g-1 at 0.2 C. Remarkably, it achieves a capacity retention of 98.7% after 700 cycles at 2 C, substantially outperforming its pristine counterpart. This work provides atomic-level insights into the role of Ov in enhancing electrochemical performance, thereby establishing a rational design principle for transforming industrial-grade MnO2 into high-performance AZIBs cathodes.}
}