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Adsorption of CO on the O_2 pre-adsorbed LaFeO_3 (0 1 0) surface: A density functional theory study
Lihui Sun,Jifan Hu,Ling Zhang,Feng Gao,Yongjia Zhang,Hongwei Qin 한국물리학회 2011 Current Applied Physics Vol.11 No.6
The adsorption of CO molecule on the O_2 pre-adsorbed LaFeO_3 (0 1 0) surface has been investigated using a density functional theory calculation. The calculated results show that the most appropriate reaction occurs between the CO and the pre-adsorbed O_2. After CO adsorption, the bonding mechanism between Fe site and the pre-adsorbed O_2 is not modified, and the HOMO―LUMO energy gap of the M1 mode is narrowed, which is caused by the redistribution of electron density in the surface.
Xing Liu,Jifan Hu,Bin Cheng,Hongwei Qin,Minhua Jiang 한국물리학회 2009 Current Applied Physics Vol.9 No.3
Nanoparticulate perovskite-type LnFe0.9Mg0.1O3 (Ln = Nd, Sm, Gd and Dy) oxides were prepared by sol–gel method. X-ray diffraction was used to confirm the phase composition of the compounds. The materials exhibit p-type semiconductor behavior. Their sensitivity and selectivity towards ethanol gas were investigated. It was found that SmFe0.9Mg0.1O3-based sensor had the highest response and selectivity. It is a new potential gas sensing material. The great difference of conductance in air and ethanol gas was found and discussed in detail. Nanoparticulate perovskite-type LnFe0.9Mg0.1O3 (Ln = Nd, Sm, Gd and Dy) oxides were prepared by sol–gel method. X-ray diffraction was used to confirm the phase composition of the compounds. The materials exhibit p-type semiconductor behavior. Their sensitivity and selectivity towards ethanol gas were investigated. It was found that SmFe0.9Mg0.1O3-based sensor had the highest response and selectivity. It is a new potential gas sensing material. The great difference of conductance in air and ethanol gas was found and discussed in detail.