Selective incorporation of Si along step edges during delta-doping on MOVPE-grown GaAs (001) vicinal surfaces

We investigated the delta-doping (δ-doping) of Si using SiH₄ on MOVPE-grown GaAs (001) vicinal surfaces to explore the possibility of selective incorporation of Si along atomic steps, and to demonstrate doping quantum wires by the combination of multiatomic steps and wire-like doping. It was found that the doping density on vicinal surfaces was enhanced as the misorientation angle was increased, which suggested the enhanced decomposition of SiH₄ and the selective incorporation of Si at step edges. It was also found that this selective incorporation could be enhanced by annealing the surface prior to the δ-doping, which resulted from the reduced incorporation of Si at the terrace regions. Anisotropic electron transport properties which are expected from the wire-like incorporation along step edges are also discussed.     

Li+掺杂浓度对Y2O3：Eu3+发光影响的理论

在团簇近似的基础上,利用分子动力学和密度泛函计算相结合的手段,在Y₂O₃:Eu³⁺中研究了随Li⁺掺杂浓度的变化,缺陷形成情况以及C₂位处Y-O键长的变化对电子态密度的影响.结果表明,随着Li⁺掺杂浓度的增加,与C₂格位相关团簇的Y-O键平均键长出现了增加-减小-增加的变化趋势,这可能是引起此类材料发光强度随Li⁺浓度出现类似变化的原因.     

YBa2Cu3O7－δ/SrNb0.01Ti0.99O3 p-n结的制备及其特性

采用脉冲激光沉积技术，在n型SrNb001Ti099O3(SNTO)单晶基片上生长p型YBa2Cu3O7-δ(YBCO)薄膜，制备出YBCO/SNTO p n结.YBCO薄膜是高度c轴织构的超导薄膜，且具有良好的超导电性.YBCO/SNTO p n结具有较好的整流特性和很好的温度与磁场稳定性. 关键词： YBa2Cu3O7-δ SrNb001Ti099O3 p n结     

钼掺杂对SrCo0．8Fe0.2O3-δ的氧渗透性能和化学稳定性的影响

研究了SrCo0．7Fe0．2Mo0．1O3-δ（SCFM）材料的相组成、微观结构、热膨胀系数、氧渗透性能和化学稳定性,其结果和文献中的SrCo0．8Fe0.2O3-δ（SCF）做了对比．通过EDTA-citric混合方法成功获得了纯相SCFM材料．SCFM材料在500-1050℃显示出比SCF材料更低的热膨胀系数（24×10^-6—29×10^-6／K）,表明其具有一种更稳定的结构,尽管由于Mo掺杂造成其透氧率比SCF材料低,但是SCFM的透氧率仍然维持在一个较高水平．证实SCF中的Mo掺杂能够阻止晶格中的有序-无序转变,提高了其在CO2下的化学稳定性．     

带间共振隧穿二极管(RITD)

带间共振隧穿二极管(RITD)是导带与价带间发生共振隧穿的两端器件,其特点是启始电压VT和峰值电压Vp较低,电流峰谷比PVCR较大。在导出RITD物理模型和其电流密度方程的基础上重点介绍了InAs/AlSb/GaSbⅡ类异质结RITD、n+InAlAs/InGaAs/InAlAs/In-GaAs/p+InAlAsp-n结双势阱Ⅰ类RITD以及δ掺杂RITD三种RITD的器件结构、材料结构、工作原理、器件特性和参数等,并对这三种RITD的特点进行了比较和讨论。     

凝胶浇注法制备中温固体氧化物燃料电池Sm_(0.5)Sr_(0.5)Co_(1-x)Fe_xO_(3-δ)多孔阴极材料的研究

以碳酸盐和氧化物为原料,通过凝胶浇注法制得了Sm_(0.5)Sr_(0.5)Co_(1-x)Fe_xO_(3-δ)(SSCF, x=0～1.0)粉体,对不同温度煅烧所得粉体的相组成和微观形貌进行了测定.制备的Sm_(0.5)Sr_(0.5)Co_(1-x)Fe_xO_(3-δ)粉体模压成形后烧结得到SSCF烧结体.测定了烧结体的密度和孔隙率并对烧结体的微观结构进行了观测,用直流四端子法测定了烧结样品的电导率并对其热膨胀系数及电化学性能等进行了测定.结果表明:干凝胶在1000 ℃煅烧可以得到粒度均匀细小的SSCF粉体,其晶体结构随Fe含量发生变化;一定温度烧结的Sm_(0.5)Sr_(0.5)Co_(1-x)Fe_xO_(3-δ)材料具有多孔结构,随烧结温度的增加,烧结体的密度增大,孔隙率减小;Fe的掺杂降低了Sm_(0.5)Sr_(0.5)CoO_(3-δ)材料的热膨胀系数,Sm_(0.5)Sr_(0.5)Co_(0.2)Fe_(0.8)O_(3-δ)材料在800 ℃时的热膨胀系数为16.4×10~(-6) K~(-1);SSCF材料的电导率随Fe含量的增加而减小,但在500～800 ℃,其电导率均大于100 S·cm~(-1).此外,Sm_(0.5)Sr_(0.5)Co_(1-x)Fe_xO_(3-δ)材料均表现出良好的催化活性.     

B（N）掺杂单壁碳纳米管的Al原子吸附性能的第一性原理研究

采用基于密度泛函理论的平面波赝势方法和广义梯度近似,对未掺杂、掺B、掺N的碳纳米管(CNT)不同位置上Al原子的吸附进行了几何优化,计算了吸附Al、掺杂前后CNT的能带结构、态密度、差分电荷密度、电荷布居数和吸附能.计算结果表明,掺B使CNT形成缺电子状态,利于具有自由电子的Al原子的吸附结合,可显著提高Al在金属性的(5,5)CNT和半导性的(8,0)CNT外壁的吸附能;掺杂N形成多电子状态,在费米能级附近半满的施主能级也利于填充Al的价电子,改善Al在(5,5)CNT和(8,0)CNT外壁的吸附结合性 关键词： 密度泛函理论 单壁碳纳米管 B(N)掺杂 Al原子吸附     

Bifunctional thiourea-catalyzed enantioselective double Michael reaction of γ,δ-unsaturated β-ketoester to nitroalkene: asymmetric synthesis of (−)-epibatidine

The asymmetric synthesis of 4-nitrocyclohexanone derivatives has been accomplished by enantioselective double Michael additions of γ,δ-unsaturated β-ketoesters to nitroalkenes using a catalytic amount of bifunctional thiourea and TMG. The three contiguous stereogenic centers of the obtained products were constructed with good to high diastereoselectivity and up to 92% ee. The biologically active natural product, (−)-epibatidine, has been synthesized from the intermediate 11a in seven steps in 30% overall yield.     

The products on the unit sphere and even-dimension spaces

The distribution δ(k)(r−1) focused on the unit sphere Ω of Rm is defined by

     

多阈值故障的δ-冲击模型最优维修更换策略

将单阈值故障的δ-冲击模型推广为多阈值故障的情形,以用于处理不同的冲击间隔会导致不同程度故障的工程实际问题.在假设系统是退化的且有k个不同阈值的条件下,以降低系统的运行费用为目标,以部件故障次数N为更换策略,通过更新过程理论求得系统的平均费用率表达式.最后借助数值例子演示了本模型,并对相关参数进行了灵敏度分析.