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Divalent cations synergistic doped V-based cathode towards high-performance aqueous zinc-ion batteries.

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Title: Divalent cations synergistic doped V-based cathode towards high-performance aqueous zinc-ion batteries.
Authors: Wu, Qiuyi1 (AUTHOR), Hu, Cuixian1 (AUTHOR), Le, Jinrong1 (AUTHOR), Chen, Yuhong1 (AUTHOR), Yang, Xiao2 (AUTHOR), Liu, Liangwei2 (AUTHOR), Xiao, Yi2 (AUTHOR), Wan, Houzhao1,3 (AUTHOR) houzhaow@hubu.edu.cn, Yang, Zhou1,4 (AUTHOR) zyang@snnu.edu.cn, Ding, Xiang1 (AUTHOR) dingx@fjnu.edu.cn, Han, Lili1,2 (AUTHOR) llhan@fjirsm.ac.cn
Source: Chemical Engineering Journal. Mar2026, Vol. 532, pN.PAG-N.PAG. 1p.
Subjects: Cathodes, Doping agents (Chemistry), Energy storage, Vanadium oxide, Ab-initio calculations
Abstract: Vanadium oxides (V 2 O 5 ·xH 2 O) cathodes hold ultra-high theoretical capacity (~589 mA h g−1) and ultra-wide interlayer spacing (0.577 nm) in aqueous zinc-ion batteries (AZIBs). However, they still suffer from defects of inferior bulk conductivity and woeful structure decay during repeated cycle. Herein, serial divalent cations (Ca2+/Mg2+/Sr2+/Ba2+) synergistic doped V 2 O 5 ·xH 2 O are systematically designed. It integrates the heterogenous electronegativity and ionic radius of Ca2+ (0.1 nm), Mg2+ (0.072 nm), Sr2+(0.118 nm) and Ba2+(0.135 nm) to improve the steric and electronic effects of layered V O slabs, thereby expanding the interlayer spacing, enhancing bulk conductivity, and stabilizing layered structure. A series of in−/ex-situ analytical methods and DFT calculations profoundly clarify the gain effects and structure-activity relationship ascribed to synergistic doping. As a result, the optimized sample demonstrates high-capacity of 428.9 mA h g−1 at 0.6 A g−1, superior rate capabilities (250 mA h g 12 A g−1), cycling stability (2000 cycles at 6 A g−1@92% retention), and energy density (338 W h kg−1), revealing significant scientific value for developing high-performance AZIBs. [Display omitted] • Ca2+/Mg2+/Sr2+/Ba2+/H 2 O multi-doped vanadium-based cathode material is designed with significant pillar effect. • DFT and in situ/ex situ characterization clarified Zn2+ (de)intercalation mechanism and structure–activity relationship. • The optimized CMSB-VOH cathode demonstrated remarkable electrochemical performance in both coin cells and pouch cells. [ABSTRACT FROM AUTHOR]
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Database: Engineering Source
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Abstract:Vanadium oxides (V 2 O 5 ·xH 2 O) cathodes hold ultra-high theoretical capacity (~589 mA h g−1) and ultra-wide interlayer spacing (0.577 nm) in aqueous zinc-ion batteries (AZIBs). However, they still suffer from defects of inferior bulk conductivity and woeful structure decay during repeated cycle. Herein, serial divalent cations (Ca2+/Mg2+/Sr2+/Ba2+) synergistic doped V 2 O 5 ·xH 2 O are systematically designed. It integrates the heterogenous electronegativity and ionic radius of Ca2+ (0.1 nm), Mg2+ (0.072 nm), Sr2+(0.118 nm) and Ba2+(0.135 nm) to improve the steric and electronic effects of layered V O slabs, thereby expanding the interlayer spacing, enhancing bulk conductivity, and stabilizing layered structure. A series of in−/ex-situ analytical methods and DFT calculations profoundly clarify the gain effects and structure-activity relationship ascribed to synergistic doping. As a result, the optimized sample demonstrates high-capacity of 428.9 mA h g−1 at 0.6 A g−1, superior rate capabilities (250 mA h g 12 A g−1), cycling stability (2000 cycles at 6 A g−1@92% retention), and energy density (338 W h kg−1), revealing significant scientific value for developing high-performance AZIBs. [Display omitted] • Ca2+/Mg2+/Sr2+/Ba2+/H 2 O multi-doped vanadium-based cathode material is designed with significant pillar effect. • DFT and in situ/ex situ characterization clarified Zn2+ (de)intercalation mechanism and structure–activity relationship. • The optimized CMSB-VOH cathode demonstrated remarkable electrochemical performance in both coin cells and pouch cells. [ABSTRACT FROM AUTHOR]
ISSN:13858947
DOI:10.1016/j.cej.2026.174524