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1,005 results on '"Wu, Zhongbiao"'

39. Engineering triple O-Ti-O vacancy associates for efficient water-activation catalysis.

Author

Bi, Feng, Meng, Qingjie, Zhang, Yili, Chen, Hao, Jiang, Boqiong, Lu, Hanfeng, Liu, Qinghua, Zhang, Hongjun, Wu, Zhongbiao, and Weng, Xiaole

Subjects
ELECTRONIC structure, PROTON transfer reactions, CATALYSTS, CATALYSIS, ENGINEERING
Abstract

Defect engineering can create various vacancy configurations in catalysts by finely tuning the local electronic and geometric structures of the active sites. However, achieving precise control and identification of these defects remains a significant challenge, and the origin of vacancy configurations in catalysts, especially clustered or associated ones, remains largely unknown. Herein, we successfully achieve the controllable fabrication and quantitative identification of triple O-Ti-O vacancy associate (VOVTiVO) in nanosized Ni-doped TiO2. Experimental and theoretical analyses demonstrate that terminal hydroxyls adsorbed at unsaturated cationic sites play an essential role in boosting VOVTiVO formation, which enhances H2O dissociation and facilitates dissociative OH* deprotonation for defect site regeneration. In contrast, a single VO can be easily saturated by dissociative bridging hydroxyl accumulation, leading to a gradual decrease in the number of active sites. The essential role of VOVTiVO in the Ni-doped TiO2 is evidenced by its comparable catalytic performance in the hydrogen evolution reaction and hydrodechlorination reactions. Our work highlights the importance of engineering vacancy-associated active sites and presents a notable approach for designing highly active and selective catalysts for efficient H2O-involved reactions. Defect engineering in catalysts can enhance performance by manipulating vacancy configurations, but controlling them is challenging. The authors report triple O-Ti-O vacancies in Ni-doped TiO2, which boost catalytic reactions through water dissociation and active site regeneration. [ABSTRACT FROM AUTHOR]

Published
2025
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41. Synthesis of a Cu@ZnO1−x/Al2O3 catalyst with high-density ZnO1−x–Cu interfacial sites for enhanced CO2 hydrogenation to methanol.

Author

Wu, Yunshuo, Wang, Haiqiang, and Wu, Zhongbiao

Abstract

The development of catalysts with high-density interfacial sites is crucial for enhancing catalytic performance. However, the efficient construction of interfacial sites remains a significant challenge. In this study, we introduced a ligand-regulated co-precipitation synthesis strategy to fabricate a Cu@ZnO1−x/Al2O3 catalyst. The catalyst possesses high-density partially-reduced ZnO1−x–Cu interfacial sites and exhibits enhanced activity for CO2 hydrogenation to methanol. The methanol space-time yield (STY) of the Cu@ZnO1−x/Al2O3 was 3.8 times higher than that of the commercial Cu/ZnO/Al2O3 after 14 h of continuous reaction. Molecular dynamics (MD) simulations and in situ Raman spectroscopy indicated that Cu–X–Zn linkage ligands formed in the precursor solution during hydrothermal treatment facilitated zinc-malachite formation during co-precipitation, which promoted Cu–ZnO interface formation during H2 reduction. Moreover, density functional theory (DFT) calculations confirmed partially-reduced ZnO1−x–Cu interfaces were more active via the formate pathway. This work reveals a novel and robust route for designing catalysts with high-density interfacial sites, shedding light on catalyst development. [ABSTRACT FROM AUTHOR]

Published
2024
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50. Insights into the Roles of Different Iron Species on Zeolites for N2O Selective Catalytic Reduction by CO

Author

Wu, Yunshuo, Wu, Xuanhao, Fan, Jie, Wang, Haiqiang, and Wu, Zhongbiao

Abstract

Iron zeolites are promising candidates for mitigating nitrous oxide (N2O), a potent greenhouse gas and contributor to stratospheric ozone destruction. However, the atomic-level mechanisms by which different iron species, including isolated sites, clusters, and particles, participate in N2O decomposition in the presence of CO still remain poorly understood, which hinders the application of the reaction in practical technology. Herein, through experiments and density functional theory (DFT) calculations, we identified that isolated iron sites were active for N2O activation to generate adsorbed O* species, which readily reacted with CO following the Eley–Rideal (E-R) mechanism. In contrast, Fe2O3particles exhibited a different reaction pathway, directly reacting with CO to generate oxygen vacancies (Ov), which could efficiently dissociate N2O following the Mars-van Krevelen (MvK) mechanism. Moreover, the transformation of iron oxide clusters into undercoordinated FeOxspecies by CO was also revealed through various techniques, such as CO-temperature-programmed reduction (TPR), and ab initiomolecular dynamics (AIMD) simulations. Our study provides deeper insights into the roles of different iron species in N2O-SCR by CO, and is anticipated to facilitate the understanding of multicomponent catalysis and the design of efficient iron-containing catalysts for practical applications.

Published
2024
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