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surface　Chemistry　and　Catalysis　of　Rare　Earth　Oxides　I．A　Study　of　the　Reactivity　of　surface　hydroxyls　on　CeO_2　and　Pr_6O_（11）　by　FT－IR　Spectroscopy

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Journal of Rare Earths 1994年第2期12卷 96-101页

作者：李灿蒋宗轩辛勤 Acad Sinica Dalian China

The surface chemical properties of CeO2 and Pr6O11 have been investigated with FT-IR spectroscopy. The reactivities of surface hydroxyls were tested through the reaction of CO. surface formate species are formed on CeO2 and Pr6O11 under CO atmosphere at 200℃ . and the reaction becomcs more prevailing at higher temperatures especially for partially reduced samples. The surface formate species are produced via the reaction of CO with surface hydroxyls which was confirmed by the reaction of CO with D2-treated CeO2 and Pr6O11. The surface formate can be oxidized to carbonate at temperatures exceeding 300 ℃, and the surface hydroxyls could be recovered as the formate species decompose or are oxidized to carbonate species. The roles played by the surface hydroxyls and surface active sites in the CO oxidation are discussed.

关键词： Cerium oxide Prascodymium oxide surface hydroxyls CO oxidation Catalysis FT-IR Spectroscopy

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Effects of crystal structure on the activity of MnO2 nanorods oxidase mimics

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Nano Research 2020年第3期13卷 709-718页

作者： Yanxia Meng Kunfeng Zhao Zhaokun Zhang Peng Gao Jing Yuan Ting Cai Qin Tong Gang Huang Dannong He School of Medical Instrument and Food Engineering University of Shanghai for Science and Technology516 Jungong RoadShanghai200093China School of Materials Science and Engineering Shanghai Jiao Tong University800 Dongchuan RoadShanghai200240China National Engineering Research Center for Nanotechnology 28 East Jiangchuan RoadShanghai200241China Shanghai University of Medicine and Health Sciences 279 Zhouzhu RoadShanghai201318China Ningbo Fundenergy Co. Ltd.699 Haicheng RoadNingbo315200China

The crystal structures would directly affect the physical and chemical properties of the surface of the material,and would thus influence the catalytic activity of the material.α-MnO2,β-MnO2 andγ-MnO2 nanorods with the same morphology yet different crystal structures were prepared and tested as oxidase mimics using 3,3’,5,5’-tetramethylbenzidine(TMB)as the substrate.β-MnO2 that exhibited the highest activity had a catalytic constant of 83.75μmol·m^−2·s^−1,2.7 and 19.0 times of those ofα-MnO2 andγ-MnO2(30.91 and 4.41μmol·m^−2·s^−1),*** characterization results showed that there were more surface hydroxyls as well as more Mn4+on the surface of theβ-MnO2 *** surface hydroxyls were conducive to the oxidation reaction,while Mn4+was conducive to the regeneration of surface *** synergistic effect of the two factors significantly improved the activity ofβ-MnO2 oxidase ***β-MnO2,aβ-MnO2-TMB-GSH system was established to detect the content of glutathione(GSH)rapidly and sensitively by *** method had a wide detection range(0.11-45μM)and a low detection limit(0.1μM),and had been successfully applied to GSH quantification in human serum samples.

关键词： crystal phase structure MnO2 oxidase mimics surface hydroxyls 3,3’,5,5’-tetramethylbenzidine(TMB) glutathione

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Unique adsorption behaviors of NO and O_2 at hydrogenated anatase TiO_2(101)

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Chinese Chemical Letters 2018年第6期29卷 765-768页

作者： Fei Li Wen-Hao Huang Xue-Qing Gong Key Laboratory for Advanced Materials Centre for Computational Chemistry and Research Institute of Industrial Catalysis School of Chemistry and Molecular Engineering East China University of Science and Technology

Titanium dioxide（TiO2） is one of the most widely studied transition metal oxides, especially for its unique performances in heterogeneous photocatalysis. Different phases of TiO2 have been found to exhibit different photo-activities, though the origins are still not fully understood. In this work, we use the density functional theory（DFT） calculations, corrected by on-site Coulomb and long-range dispersion interactions, to study the adsorptions of nitric oxide（NO） and oxygen（O2） molecules on the clean and hydrogenated anatase TiO2（101） surfaces. We also compare the detailed calculated results regarding their structural, energetic and electronic properties with those obtained at rutile TiO2（110）. It has been found that the behaviors of the surface localized electrons being transferred from adsorbed H, as well as the adsorption behaviors of NO and O2 are quite different at the two surfaces, which can be attributed to their characteristic local bonding structures around the surface hydroxyl. These results may also help explain the different photocatalytic activities of these two main facets of anatase and rutile TiO2

关键词： Anatase TiO2(101) Rutile TiO2(110) surface adsorptions surface hydroxyls Localized electrons Photocatalysis Density functional theory

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