SrTiO_3 nano-crystal samples with floccule or flake crystal morphology,which were indexed as a perovskite-type crystal structure based on the results of XRD and TEM,were successfully prepared by one-step liquid reacti...SrTiO_3 nano-crystal samples with floccule or flake crystal morphology,which were indexed as a perovskite-type crystal structure based on the results of XRD and TEM,were successfully prepared by one-step liquid reaction method.And the growth mechanism of the SrTiO_3 nano-crystals under the liquid condition with/without adding the surface active agent was investigated.It was found that adding the surface active agent contributes to the processing in which the ions gathering bodies transit to a more stable phase through the chemical reaction and form the flake SrTiO_3 nano-crystals.展开更多
Using first-principle theory, the infrared absorptions of transition metal （Mn, Fe, Co, Ni）-doped ZnO were investigated. The results indicate that the absorptions of Mn- and Co-incorporated ZnO without oxygen vacanc...Using first-principle theory, the infrared absorptions of transition metal （Mn, Fe, Co, Ni）-doped ZnO were investigated. The results indicate that the absorptions of Mn- and Co-incorporated ZnO without oxygen vacancy are reduced, while those of Fe- and Ni-doped ZnO are raised. This is consistent with the previous experimental results. The effects of oxygen vacancy on the absorptions of the doped systems were predicted. When a neutral oxygen vacancy is introduced, all doping elements decrease the absorptions. On the contrary, the absorptions of the doped systems are enhanced if the vacancies are charged. Degraded absorptions can be obtained by increasing the permeability. However, the appearance of anti-bonding states may cause enhanced absorptions. In the current study, Mn-doped ZnO is the most suitable for use as low infrared absorption materials.展开更多
文摘SrTiO_3 nano-crystal samples with floccule or flake crystal morphology,which were indexed as a perovskite-type crystal structure based on the results of XRD and TEM,were successfully prepared by one-step liquid reaction method.And the growth mechanism of the SrTiO_3 nano-crystals under the liquid condition with/without adding the surface active agent was investigated.It was found that adding the surface active agent contributes to the processing in which the ions gathering bodies transit to a more stable phase through the chemical reaction and form the flake SrTiO_3 nano-crystals.
基金financial supported by the Scientific and Technological Program of Shaanxi Province(No.2009K06_03)
文摘Using first-principle theory, the infrared absorptions of transition metal （Mn, Fe, Co, Ni）-doped ZnO were investigated. The results indicate that the absorptions of Mn- and Co-incorporated ZnO without oxygen vacancy are reduced, while those of Fe- and Ni-doped ZnO are raised. This is consistent with the previous experimental results. The effects of oxygen vacancy on the absorptions of the doped systems were predicted. When a neutral oxygen vacancy is introduced, all doping elements decrease the absorptions. On the contrary, the absorptions of the doped systems are enhanced if the vacancies are charged. Degraded absorptions can be obtained by increasing the permeability. However, the appearance of anti-bonding states may cause enhanced absorptions. In the current study, Mn-doped ZnO is the most suitable for use as low infrared absorption materials.
