Boosting Zinc Storage Performance of Li3 VO4 Cathode Material for Aqueous Zinc Ion Batteries via Carbon-Incorporation: A Study Combining Theory and Experiment.

In the search for sustainable cathode materials for aqueous zinc ion batteries (AZIBs), vanadium (V)-based materials have garnered interest, primarily due to their abundance and multiple oxidation states. Among the contenders, Li3 VO4 (LiVO) stands out for its affordability, high specific capacity, and elevated ionic conductivity. However, its limited electrical conductivity results in significant resistance polarization, limiting its rate capability, especially under high currents. Through density functional theory (DFT) calculations, this study evaluates the electrochemical implications of carbon (C) incorporation within the LiVO matrix. The findings indicate that C integration significantly ameliorates the conductivity of LiVO. Moreover, C serves as a barrier, mitigating direct interactions between Zn2+ and LiVO, which in turn expedites Zn2+ diffusion. When considering various C materials for this role, glucose is emerged as the optimal candidate. The LiVO/C-glucose composite (LiVO/C-G) is observed to undergo dual phase transitions during charge-discharge cycles, resulting in an amorphous vanadium-oxygen (VO) derivative, paving the way for subsequent electrochemical reactions. Collectively, the insights pave a promising avenue for refining AZIB cathode design and performance.

Polypyrrole-Doped NH4 V3 O8 with Oxygen Vacancies as High-Performance Cathode Material for Aqueous Zinc-Ion Batteries.

The inherent slow diffusion dynamics of aqueous zinc-ion batteries (AZIBs) act as a significant hindrance to their universal utilization as energy storage systems, largely attributed to the scarcity of superior cathode materials. In this study, a novel method that amalgamates oxygen defect engineering and polymer intercalation, guided by theoretical computations, to confront this challenge, is introduced. This approach begins with density functional theory calculations, demonstrating that the shielding effect rendered by polypyrrole (PPy) between NH4 V3 O8 (NVO) layers, along with the cooperative influence of oxygen defects (Od ), optimizes the kinetic transport of Zn2+ . Leveraging these theoretical outcomes, a two-step hydrothermal synthesis procedure is devised to fabricate PPy-intercalated NVO embedded with Od (NVO-Od @PPy). The empirical findings corroborate the theoretical predictions, showcasing that the NVO-Od @PPy//Zn system manifests exceptional cycling stability. Specifically, the NVO-Od @PPy electrode delivers an optimal reversible capacity, yielding 421 mAh g-1 at a current density of 0.1 A g-1 . Remarkably, even at an elevated current density of 10 A g-1 , it sustains a capacity of 175.7 mAh g-1 , while maintaining a capacity retention of 99% over 1000 cycles. This research provides pivotal insights for the engineering of high-performing cathode materials for AZIBs, paving the way for their future advancements.

"Dual- Engineering" Strategy to Regulate NH4 V4 O10 as Cathodes for High-Performance Aqueous Zinc Ion Batteries.

Aqueous zinc ion batteries (AZIBs) have attracted attention as a promising candidate for secondary battery energy storage due to their safety and environmental benefits. However, the vanadium-based cathode material NH4 V4 O10 has the problem of structural instability. In this paper, it is found by density functional theory calculation that excessive NH4 + located in the interlayer will repel the Zn2+ during the process of Zn2+ insertion. This results in the distortion of the layered structure, further affects the diffusion of Zn2+ and reduces the reaction kinetics. Therefore, part of the NH4 + is removed by heat treatment. In addition, the introduction of Al3+ into the material by hydrothermal method is able to further enhance its zinc storage properties. This dual-engineering strategy shows excellent electrochemical performance (578.2 mAh g-1 at 0.2 A g-1 ). This study provides valuable insights for the development of high performance AZIBs cathode materials.

Al3+ Introduction Hydrated Vanadium Oxide Induced High Performance for Aqueous Zinc-Ion Batteries.

Aqueous zinc ion batteries are a promising alternative secondary battery technology due to their excellent safety and environmental friendliness. Vanadium-based compounds as a highly promising class of cathode materials still suffer from structural collapse and slow kinetics. Studies have shown that metal ion pre-introduction is an effective method to solve these problems and enhance battery performance. Here, the introduction of Al3+ , Cr3+ , Cu2+ and Fe3+ is found to effectively reduce the migration energy barrier of Zn2+ with the density functional theory calculations, while Al3+ exhibits the best induction effects. Subsequently, Al0.34 V5 O12 ·2.4H2 O (AlVOH) nanoribbons are synthesized by hydrothermal introduction of Al3+ , demonstratin excellent electrochemical properties (407.8 mAh g-1 at 0.2 A g-1 and 176.3 mAh g-1 after 2000 cycles at 20 A g-1 ). By further compounding with redox graphene (rGO), AlVOH/rGO exhibits high capacitance and specific capacity (460.4 mAh g-1 at 0.2 A g-1 and 180.6 mAh g-1 after 2000 cycles at 20 A g-1 ). In addition, it is found that the introduction of metal ions adjusts the structural water content of the material. Especially, the introduction of Al3+ can increase the interlayer structural water content and make the electrochemical properties of the material more stable.

Highly selective catalytic reduction of NO via SO2/H2O-tolerant spinel catalysts at low temperature.

Selective catalytic reduction of NO X by hydrogen (H2-SCR) in the presence of oxygen has been investigated over the NiCo2O4 and Pd-doped NiCo2O4 catalysts under varying conditions. The catalysts were prepared by a sol-gel method in the presence of oxygen within 50-350 °C and were characterized using XRD, BET, EDS, XPS, Raman, H2-TPR, and NH3-TPD analysis. The results demonstrated that the doped Pd could improve the catalyst reducibility and change the surface acidity and redox properties, resulting in a higher catalytic performance. The performance of NiCo1.95Pd0.05O4 was consistently better than that of NiCo2O4 within the 150-350 °C range at a gas hourly space velocity (GHSV) of 4800 mL g(-1) h(-1), with a feed stream containing 1070 ppm NO, 10,700 ppm H2, 2 % O2, and N2 as balance gas. The effects of GHSV, NO/H2 ratios, and O2 feed concentration on the NO conversion over the NiCo2O4 and NiCo1.95Pd0.05O4 catalysts were also investigated. The two samples similarly showed that an increase in GHSV from 4800 to 9600 mL h(-1) g(-1), the NO/H2 ratio from 1:10 to 1:1, and the O2 content from 0 to 6 % would result in a decrease in NO conversion. In addition, 2 %, 5 %, and 8 % H2O into the feed gas had a slightly negative influence on SCR activity over the two catalysts. The effect of SO2 on the SCR activity indicated that the NiCo1.95Pd0.05O4 possesses better SO2 tolerance than NiCo2O4 catalyst does. Graphical abstract The NiCo1.95Pd0.05O4 catalyst achieved over 90 % NO conversion with N2 selectivity of 100 % in the 200∼250 °C range than the maximum 40.5 % NO conversion over NiCo2O4 with N2 selectivity of approximately 80 % in 350 °C.