Citation: Minghui Chen, Lei An, Kaiwei Wang, Jianing Qian, Yuming Chen, Xingtao Xu, Tianjun Ni, Dong Liu. Predictive interstitial boron doping in 3D cross-linked ultrathin Nb₂O₅ via atomic-mismatch engineering for enhanced catalytic performance[J]. Chinese Chemical Letters, ;2026, 37(10): 112794. doi: 10.1016/j.cclet.2026.112794 shu

Predictive interstitial boron doping in 3D cross-linked ultrathin Nb₂O₅ via atomic-mismatch engineering for enhanced catalytic performance

Minghui Chen ^a ,
Lei An ^a ,
Kaiwei Wang ^a ,
Jianing Qian ^a ,
Yuming Chen ^a ,
Xingtao Xu ^{b, c, *,} ,
Tianjun Ni ^{a, d, *,} ,
Dong Liu ^{a, *,}

a.
School of Public Health, Henan Medical University, Xinxiang 453003, China
b.
Department of Materials Process Engineering, Graduate School of Engineering, Nagoya University, Nagoya 464-8603, Japan
c.
Marine Science and Technology College, Zhejiang Ocean University, Zhoushan 316022, China
d.
School of Basic Medical Sciences, Henan Medical University, Xinxiang 453003, China

xingtao.xu@zjou.edu.cn

tjni@xxmu.edu.cn

liudong081@163.com

Received Date: 4 January 2026
Revised Date: 7 April 2026
Accepted Date: 16 April 2026
Available Online: 17 April 2026

Figures(6)

Niobium pentoxide (Nb₂O₅) is a promising yet inefficient photocatalyst due to its wide bandgap, rapid charge recombination, and limited active sites. Herein, we propose a predictive doping paradigm guided by multi-dimensional atomic mismatch (in ionic radius, valence state, and element nature) to direct boron into interstitial sites within a three-dimensional (3D) cross-linked ultrathin Nb₂O₅ architecture. This atomic-mismatch-guided interstitial doping effectively engineers the electronic structure, substantially reducing the exciton binding energy and creating long-lived shallow traps for charge carriers. The deliberately constructed 3D porous network provides abundant exposed active sites, high adsorption capacity, and enhanced mass transport. Synergistically, the tailored electronic structure enables highly efficient visible-light photocatalysis. In the optimized catalyst (BNO-2), this synergistic mechanism leads to exceptional doxorubicin (DOX) degradation (96.9% within 30 min) under visible light, along with effective detoxification and progressive mineralization. Mechanistic studies identify the superoxide radical as the predominant reactive species. This work not only establishes a novel predictive doping paradigm based on atomic mismatch but also demonstrates the capability of concurrently engineering nanoarchitecture and electronic structure to design high-performance environmental remediation materials.
- Niobium pentoxide,
- Interstitial doping,
- Atomic mismatch,
- Doxorubicin degradation,
- Toxicity analysis
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沈阳化工大学材料科学与工程学院沈阳 110142

Predictive interstitial boron doping in 3D cross-linked ultrathin Nb2O5 via atomic-mismatch engineering for enhanced catalytic performance

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通讯作者: 陈斌, bchen63@163.com

Predictive interstitial boron doping in 3D cross-linked ultrathin Nb₂O₅ via atomic-mismatch engineering for enhanced catalytic performance