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The interfacial structure between the room-temperature ionic liquid, 1-butyl-3-methyl-imidazolium hexafluorophosphate (B......
采用DFT/B3LYP方法对Ni在TiO2(110)表面的5种可能负载模式及CO的6种吸附模型进行优化,计算了它们的吸附能、振动频率.结果表明,Ni......
The material considered in this study, SnO2 (110), has a widespread use as gas sensor and oxygen vacancies are known to ......