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Nb-doped SrTiO_3 thermoelectric ceramics with different niobium concentrations,sintering temperatures and Sr-site vacancies are successfully prepared by high energy ball milling combined with carbon burial sintering.For fully understanding the effect of niobium doping on SrTiO_3,thermoelectric transport properties are systematically investigated in a temperature range from 300 K to 1100 K.The carrier mobility can be significantly enhanced,and the electrical conductivity is quadrupled,when the sintering temperature rises from 1673 K to 1773 K(beyond the eutectic temperature(1713 K) of SrTiO_3–TiO_2).The lattice vibration can be suppressed by the lattice distortion introduced by the doped niobium atoms.However,Sr-site vacancies compensate for the lattice distortion and increase the lattice thermal conductivity more or less.Finally,we achieve a maximum value of figure-of-merit z T of 0.21 at 1100 K for Sr Ti_(0.9)Nb_(0.1)O_3 ceramic sintered at1773 K. 相似文献
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采用密度泛函理论(DFT)中的UB3LYP方法全参数优化了(IrO_2)n(n=1~5)纳米团簇的几何构型,并对能量、频率、电子性质以及相对稳定性进行了研究。结构优化表明,当n=1,2时,团簇为平面结构,n2时为三维结构。计算结果表明,桥位O原子与Ir原子之间有更多的电荷发生转移;通过计算解离能可知(IrO_2)n(n=2~5)纳米团簇中Ir4O8为稳定分子;经计算垂直电离能和垂直电子亲和势可知n=2,4为团簇的幻数。 相似文献
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以小型拱形塌方为研究对象,考虑支护条件,对自重应力场作用下软岩隧道小型拱形塌方腔体周边围岩及支护结构的变形受力进行了深入研究。结果表明:塌方腔体围岩水平位移增加值不均匀,拱顶处接近于0,垂直位移增加值相对均匀,两者最大值均位于塌腔与隧道断面交界点;距洞壁越近,水平位移和垂直位移越大;围岩应力释放程度不同,不同测线水平应力变化规律差异较大,垂直应力随距洞壁距离增加而不断增加,最终趋于稳定;塌方后支护结构的局部轴力变大,剪应力也较正常情况增加,表明支护结构受力明显增加,如处治不及时则可能发生二次塌方。提出应用锚杆进行塌方处治的方案,得出锚杆发挥了良好的加固围岩作用,围岩变形得到了有效控制。 相似文献
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