1,3,3-三硝基氮杂环丁烷的合成

1,3,3-三硝基氮杂环丁烷（TNAZ）作为高能量密度材料，其合成和应用研究受 到了广泛重视。本文用硝基甲烷、多聚甲醛、叔丁胺等作为起始原料，经过五步反 应合成出了TNAZ，总收率为34%，用红外光谱、核磁共振氢谱及碳谱和质谱等对其 及中间体结构进行了表征。大部分反应使用水作为反应介质，降低了合成成本，污 染明显减少。讨论了反应条件和影响反应产物收率的主要因素，获得了制备TNAZ合 适条件。     

含能富勒烯吡咯烷衍生物的合成及工艺研究

利用Prato反应合成分离出了新型含硝基富勒烯吡咯烷衍生物1, 并对其工艺条件进行了研究, 探讨了反应物计量比、温度及时间对产物1产率的影响, 得到了合成产物1的最佳工艺条件: C₆₀, 间硝基苯甲醛和N-甲基甘氨酸的物质的量比为1∶1∶2, 温度为100 ℃, 反应时间为16 h, 此时产物1产率达到94.8%(以消耗的C₆₀计). 同时用UV-Vis, FT-IR, ¹H NMR, ¹³C NMR and MS spectra等光谱手段确定了产物1的分子结构.     

3，3-二硝基氮杂环丁烷和1，1′-亚甲基-双（3，3-二硝基-1-氮杂环丁烷）的合成研究

3，3-二硝基氮杂环丁烷(DNAZ)的含能盐及衍生物是一类重要的高能量密度材料，因此DNAZ的合成和应用受到了密切关注．采用新的合成方法，以1-叔丁基-3，3-二硝基氮杂环丁烷为起始原料，以76．3％的总收率得到了DNAZ，然后以DNAZ为原料，与多聚甲醛反应，得到了1，1′-亚甲基-双(3，3-二硝基-1-氮杂环丁烷)(DNAZ-CH2-DNAZ)．用红外和核磁共振光谱等对各化合物的结构进行了表征．     

基于脉冲方法的超短栅长GaN基高电子迁移率晶体管陷阱效应机理

陷阱效应导致的电流崩塌是制约GaN基微波功率电子器件性能提高的一个重要因素,研究深能级陷阱行为对材料生长和器件开发具有非常重要的意义.随着器件频率的提升,器件尺寸不断缩小,对小尺寸器件中深能级陷阱的表征变得越发困难.本文制备了超短栅长（L_g=80 nm）的AlGaN/GaN金属氧化物半导体高电子迁移率晶体管（MOSHEMT）,并基于脉冲I-V测试和二维数值瞬态仿真对器件的动态特性进行了深入研究,分析了深能级陷阱对AlGaN/GaN MOSHEMT器件动态特性的影响以及相关陷阱效应的内在物理机制.结果表明,AlGaN/GaN MOSHEMT器件的电流崩塌随着栅极静态偏置电压的增加呈非单调变化趋势,这是由栅漏电注入和热电子注入两种陷阱机制共同作用的结果.根据研究结果推断,可通过改善栅介质的质量以减小栅漏电或提高外延材料质量以减少缺陷密度等措施达到抑制陷阱效应的目的,从而进一步抑制电流崩塌.     

基于化学数据库和神经网络的中学化学教学与项目化学习

以碳热还原和化学材料智能搜索为素材,将化学数据库和机器学习方法与讲授式教学模式有机结合.木炭燃烧和还原CuO的案例致力于增强学生对化学反应能量变化和平衡移动的认知.基于神经网络的科研实践对发展问题导向式的研学课堂具有重要启示.     

基于电子束剪切干涉的PIE成像技术研究

提出了基于M?llenstedt电子双棱镜的电压扫描剪切干涉全场ptychographic iterative engine(PIE)显微成像技术.从低到高逐步改变电子双棱镜的电压,并同时记录所形成的剪切干涉条纹,待测样品透射电子束的强度和相位分布就可以用PIE算法得以快速重建,而且双棱镜的方向、位置和实际电场强度分布等诸多实验中不可避免地偏差都可以在迭代过程中自动得以更正.所提技术能够克服现阶段用电子束进行PIE成像的诸多技术困扰,从而有望推动PIE技术在电子显微成像领域的发展和应用.     

真空及空气中金属丝电爆炸特性研究

开展了铝丝在真空和空气环境中的电爆炸特性研究.从金属丝电爆炸的电压、电流波形得到了金属丝内的沉积能量,并基于以上电参数特征分析了电爆炸产物的状态,获得了空气中铝丝电爆炸电流暂停时间随初级储能电容充电电压的变化规律.真空和空气中铝丝电爆炸在电压击穿时刻的沉积能量分别为2.8和6 eV/atom.采用波长为532 nm、亚纳秒激光探针对金属丝电爆炸物理过程开展了高时空分辨率的阴影和纹影诊断.阴影图像清晰地展示了不同气氛环境中高密度电爆炸产物的膨胀过程,根据光学诊断图像分析了高密度丝核沉积能量的结构和空气中铝丝电爆炸产生的激波的膨胀轨迹.真空和空气环境中高密度电爆炸产物的平均膨胀速度分别为1.9和3 km/s.基于实验数据和输运参数模型,估算了金属丝在电压击穿时刻的温度.     

Influence of thermal stress on the relative permittivity of the AlGaN barrier layer in an AlGaN/GaN heterostructure Schottky contacts

Ni Schottky contacts on AlGaN/GaN heterostructures were fabricated. Some samples were thermally treated in a furnace with N₂ ambience at 600 °C for different times (0.5 h, 4.5 h, 10.5 h, 18 h, 33 h, 48 h, and 72 h), the others were thermally treated for 0.5 h at different temperatures (500 °C, 600 °C, 700 °C, and 800 °C). With the measured current—voltage (I—V) and capacitance—voltage (C—V) curves and by self-consistently solving Schrodinger's and Poisson's equations, we found that the relative permittivity of the AlGaN barrier layer was related to the piezoelectric and the spontaneous polarization of the AlGaN barrier layer. The relative permittivity was in proportion to the strain of the AlGaN barrier layer. The relative permittivity and the strain reduced with the increased thermal stress time until the AlGaN barrier totally relaxed (after 18 h at 600 °C in the current study), and then the relative permittivity was almost a constant with the increased thermal stress time. When the sample was treated at 800 °C for 0.5 h, the relative permittivity was less than the constant due to the huge diffusion of the contact metal atoms. Considering the relation between the relative permittivity of the AlGaN barrier layer and the converse piezoelectric effect, the conclusion can be made that a moderate thermal stress can restrain the converse piezoelectric effect and can improve the stability of AlGaN/GaN heterostructure devices.     

Sorption and permeation of gaseous molecules in amorphous and crystalline PPX C membranes: molecular dynamics and grand canonical Monte Carlo simulation studies

Amorphous and crystalline poly (chloro-p-xylylene) (PPX C) membranes are constructed by using a novel computational technique, that is, a combined method of NVT+NPT-molecular dynamics (MD) and gradually reducing the size (GRS) methods. The related free volumes are defined as homology clusters. Then the sorption and the permeation of gases in PPX C polymers are studied using grand canonical Monte Carlo (GCMC) and NVT-MD methods. The results show that the crystalline PPX C membranes provide smaller free volumes for absorbing or transferring gases relative to the amorphous PPX C area. The gas sorption in PPX C membranes mainly belongs to the physical one, and H bonds can appear obviously in the amorphous area. By cluster analyzing on the mean square displacement of gases, we find that gases walk along the x axis in the crystalline area and walk randomly in the amorphous area. The calculated permeability coefficients are close to the experimental data.     

Determination of the series resistance under the Schottky contacts of AlGaN/AlN/GaN Schottky barrier diodes

Rectangular AlGaN/AlN/GaN heterostructure field-effect transistors (HFETs) were fabricated, and the gate and the source of the HFETs consisted of AlGaN/AlN/GaN Schottky barrier diodes (SBDs). Based on the measured forward current-voltage and the capacitance-voltage characteristics of the AlGaN/AlN/GaN SBDs, the series resistance under the Schottky contacts (R_S) was calculated using the method of power consumption, which has been proved to be valid. Finally, the method of power consumption for calculating R_S was successfully used to study the two-dimensional electron gas electron mobility for a series of circular AlGaN/AlN/GaN SBDs. It is shown that the series resistance under the Schottky contacts cannot be neglected and is important for analysing and characterizing the AlGaN/AlN/GaN SBDs and the AlGaN/AlN/GaN HFETs.