Gas-sensing properties of perovskite La0.875Ba0.125FeO3 nanocrystalline powders
Gas-sensing properties of perovskite La0.875Ba0.125FeO3 nanocrystalline powders
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DOI：
10.1016/j.jpcs.2010.10.074
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发表时间：
2011
影响因子：
4
通讯作者：
Lihui Sun;H. Qin;E. Cao;Minglei Zhao;F. Gao;Jifan Hu
中科院分区：
文献类型：
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作者：
Lihui Sun;H. Qin;E. Cao;Minglei Zhao;F. Gao;Jifan Hu
采用溶胶-凝胶法制备了La0.875Ba0.125FeO3纳米晶粉末。研究了其结构、电导和气敏性能。La_（0.875）Ba_（0.125）FeO_3晶体为钙钛矿相，具有正交晶系结构。La_（0.875）Ba_（0.125）FeO_3基传感器对乙醇气体具有良好的灵敏度和选择性。在170°C时，对500 ppm酒精气体的最高灵敏度为58。采用基于密度泛函理论的第一性原理方法研究了O2在La 0. 875 Ba 0. 125 FeO 3（010）表面的吸附.结果表明，Fe ~（2+）在氧吸附过程中起着重要作用，并影响其气敏性能。
La0.875Ba0.125FeO3nanocrystalline powders have been prepared by a sol–gel method. The structure, conductance and gas-sensing properties were investigated. La0.875Ba0.125FeO3crystallizes as a perovskite phase with the orthorhombic structure. The La0.875Ba0.125FeO3based sensor shows good sensitivity and selectivity to alcohol gas. The highest sensitivity to 500ppm alcohol gas reached was 58 at 170°C. The adsorption of O2on the La0.875Ba0.125FeO3(010) surface was studied with the first-principles calculation based on the density functional theory. The results show that the surface states are near the Fermi energy level and that the Fe ion plays an important role in the process of oxygen adsorption, which affects the gas-sensing properties.