The interaction of mineral oxides （α-A12O3, MgO, Fe2O3, and SiO2） with hydrogen peroxide was investigated using the Knudsen cell reactor. The initial reactive uptake coefficients for tile commercially available pow...The interaction of mineral oxides （α-A12O3, MgO, Fe2O3, and SiO2） with hydrogen peroxide was investigated using the Knudsen cell reactor. The initial reactive uptake coefficients for tile commercially available powders are measured as （1.00±0.11）×10-4 for α-A1203, （1.66±0.23）×10-4 for MgO, （9.70±1.95）×10-5 for Fe203, and （5.22±0.9）×10-5 for SiO2. These metal oxide powders exhibit some catalytic behavior toward the decomposition of hydrogen peroxide excluding SiO2. H2O2 can be destroyed on Fe2O3 surface and O2 is formed. The experimental results suggest that the heterogeneous loss on mineral surface can represent an important sink of hydrogen peroxide.展开更多
Vanadium oxide clusters VxOy^q（x≤8, q=0, ±1） are classified according to the oxidation index （△=2y＋q-5x） of each cluster. Density functional calculations indicate that clusters with the same oxidation inde...Vanadium oxide clusters VxOy^q（x≤8, q=0, ±1） are classified according to the oxidation index （△=2y＋q-5x） of each cluster. Density functional calculations indicate that clusters with the same oxidation index tend to have similar bonding characters, electronic structures, and reactivities. This general rule leads to the findings of new possible ground state struc- tures for V206 and V3O6＋ clusters. This successful application of the classification method on vanadium oxide clusters proves that this method is very effective in studying the bonding properties of early transition metal oxide clusters.展开更多
基金This work was supported by the Knowledge Innovation Program of the Chinese Academy of Sciences （No.KJCX2-YW-N24, No.KZCX2-YW-Q02-03）the National Basic Research Program of China of Ministry of Science and Technology of China （No.2011CB403401） and the National Natural＇ Science Foundation of China （No.40925016, No.40830101, No.21077109, and No.41005070）.
文摘The interaction of mineral oxides （α-A12O3, MgO, Fe2O3, and SiO2） with hydrogen peroxide was investigated using the Knudsen cell reactor. The initial reactive uptake coefficients for tile commercially available powders are measured as （1.00±0.11）×10-4 for α-A1203, （1.66±0.23）×10-4 for MgO, （9.70±1.95）×10-5 for Fe203, and （5.22±0.9）×10-5 for SiO2. These metal oxide powders exhibit some catalytic behavior toward the decomposition of hydrogen peroxide excluding SiO2. H2O2 can be destroyed on Fe2O3 surface and O2 is formed. The experimental results suggest that the heterogeneous loss on mineral surface can represent an important sink of hydrogen peroxide.
基金This work was supported by the Hundred Talents Fund of the Chinese Academy of Sciences and the National Natural Science Foundation of China （No.20803083 and No.20933008）.
文摘Vanadium oxide clusters VxOy^q（x≤8, q=0, ±1） are classified according to the oxidation index （△=2y＋q-5x） of each cluster. Density functional calculations indicate that clusters with the same oxidation index tend to have similar bonding characters, electronic structures, and reactivities. This general rule leads to the findings of new possible ground state struc- tures for V206 and V3O6＋ clusters. This successful application of the classification method on vanadium oxide clusters proves that this method is very effective in studying the bonding properties of early transition metal oxide clusters.
基金supported by the Knowledge Innovation Program of the Chinese Academy of Sciences(KJCX2-YW-N24,KZCX2-YW-Q02-03)National Natural Science Foundation of China(40925016,40830101)~~
