An NHC-Mediated Metal-Free Approach towards an NHC-Coordinated Endocyclic Disilene

A convenient metal-free approach towards an N-heterocyclic carbene (NHC)-coordinated disilene 2 is described. Compound 2 , featuring the disilene incorporated in cyclopolysilane framework, was obtained in good yield and characterized using NMR spectroscopy and X-ray crystallography. Density functional theory (DFT) calculations of the reaction mechanism provide a rationale for the observed reactivity and give detailed information on the bonding situation of the base-stabilized disilene. Compound 2 undergoes thermal or light- induced (λ=456 nm) NHC loss, and a dimerization process to give a corresponding dimer with a Si₁₀ skeleton. In order to shed light on the dimerization mechanism, DFT calculations were performed. Moreover, the reactivity of 2 was examined with selected examples of transition metal carbonyl compounds.     

硅基二氧化钒相变薄膜电学特性研究

本文以原子层沉积超薄氧化铝(Al₂ O₃)为过渡层, 采用射频反应磁控溅射法在硅半导体基片上制备了颗粒致密并具有(011)择优取向的二氧化钒(VO₂)薄膜. 该薄膜具有显著的绝缘体–金属相变特性, 相变电阻变化超过3 个数量级, 热滞回线宽度约为6℃. 基于VO₂薄膜构建了平面二端器件并测试了不同温度下I-V曲线, 观测到超过2个数量级的电流跃迁幅度, 显示了优越的电致相变特性. 室温下电致相变阈值电压为8.6 V, 电致相变弛豫电压宽度约0.1 V. 随着温度升高到60℃, 其电致相变所需要的阈值电压减小到2.7 V. 本实验制备的VO₂薄膜在光电存储、开关、太赫兹调控器件中具有广泛的应用价值.     

硅功能化石墨烯负极材料的粗粒模型

硅功能化石墨烯(硅化烯)作为锂离子电池的负极材料, 一旦发生分层或粉化等损伤现象, 会严重地降低材料的电子输运能力和储锂容量, 减少电池的使用寿命, 因此要求负极材料具有较强的力学可靠性. 考虑到传统分子动力学方法的模拟尺度很难达到硅化烯负极材料的真实尺度, 首先采用Tersoff 势函数和Lennard-Jones 势函数建立了多种硅化烯的全原子数值模型, 计算材料的各种弹性模量和吸附能; 然后采用珠子-弹簧结构, 根据力学平衡条件和能量守恒定律, 结合全原子模型的计算结果, 建立了硅化烯粗粒模型及其系统的能量方程; 最后, 通过对比石墨烯粗粒模型与其全原子模型的拉伸性能, 验证了硅化烯粗粒模型的有效性.     

硅基光源的研究进展

随着人们对大容量、高速和低成本的信息传播的要求越来越迫切, 近年来硅基光电子学得以蓬勃发展, 但硅基光源一直没有得到真正的解决, 成为制约硅基光电子学发展的瓶颈. 硅的间接带隙本质给高效硅基光源的实现带来很大困难, 实用化的硅基激光是半导体科学家长期奋斗的目标. 本文分别介绍了硅基发光材料、硅基发光二极管和硅基激光的研究进展, 最后总结了目前各种硅基光源面临的问题和未来的发展方向.     

High‐performance a‐Si1–xOx:H/c‐Si heterojunction solar cells realized by the a‐Si:H/a‐Si1–xOx:H stack buffer layer

We used amorphous silicon oxide (a‐Si_1–xO_x:H) and microcrystalline silicon oxide (µc‐Si_1–xO_x:H) as buffer layer and p‐type emitter layer, respectively, in n‐type silicon hetero‐junction (SHJ) solar cells. We proposed to insert a thin (2 nm) intrinsic amorphous silicon (a‐Si:H) thin film between the thin (2.5 nm) a‐Si_1–xO_x:H buffer layer and the p‐layer to form a stack buffer layer of a‐Si:H/a‐Si_1–xO_x:H. As a result, a high open‐circuit voltage (V_OC) and a high fill factor (FF) were obtained at the same time. Finally, a high efficiency of 19.0% (J_SC = 33.46 mA/cm², V_OC = 738 mV, FF = 77.0%) was achieved on a 100 μm thick polished wafer using the stack buffer layer.

     

Micro‐photoluminescence spectroscopy on heavily‐doped layers of silicon solar cells

We report and explain the photoluminescence spectra emitted from silicon solar cells with heavily‐doped layers at the surface. A micro‐photoluminescence spectroscopy system is employed to investigate the total spectrum emitted from both the heavily‐doped layer and the silicon substrate with micron‐scale spatial resolution. The two regions of the device give rise to separate photoluminescence peaks, due to band‐gap narrowing effects in the highly‐doped layer. Two key parameters, the absorption depth of the excitation wavelength, and the sample temperature, are shown to be critical to reveal the separate signatures from the two regions. Finally, this technique is applied to locally diffused and laser‐doped regions on silicon solar cell pre‐cursors, demonstrating the potential value of this micron‐scale technique in studying and optimizing locally doped regions. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

金刚石线锯切割多晶硅片的气相刻蚀制绒研究

采用气相刻蚀制绒法研究金刚石线锯切割多晶硅片制绒.加热体积比1∶3、总体积400 mL的HF-HNO3酸混合溶液到90℃,使酸混合溶液受热产生气相,利用气相对金刚石线锯切割多晶硅片表面进行制绒.结果表明,制绒15 min之后,硅片表面的切割纹被完全去除;小腐蚀坑密布硅片表面,尺寸小于1μm,而传统湿法酸制绒所形成的腐蚀坑尺寸大于10μm.气相刻蚀后的金刚石线锯切割多晶硅片表面的微观粗糙度比传统酸混液制绒后的金刚石线锯切割多晶硅片表面的微观粗糙度高3倍多.气相制绒效果明显,并仅有12.11％的低反射率.     

Pattern formation mechanism of a periodically faceted interface during crystallization ofSi

We investigated the pattern formation mechanism of a periodically faceted crystal–melt interface during the crystallization of Si by in situ observation. It was directly proved that spacing between the reentrants of adjacent zigzag facets increases with the unification of adjacent facets when a facet with a higher growth velocity catches up with the one with a lower growth velocity. The spacing becomes stable after unification, and the stable spacing was found to increase with increase in growth velocity. The experimental results was discussed by taking the negative temperature gradient in front of the growth interface into account.     

Electronic Structure and Reactivity of a [1],[1]Disilamolybdenocenophane

The electronic structure of the two‐fold bridged [1],[1]disilamolybdenocenophane has been analyzed by means of density functional theory. As predicted, the relatively high charge at the metal center and, in particular, the highly strained geometry determine a noticeable reactivity towards unsaturated organic substrates. Thus, treatment with the nonpolar reagents 2‐butyne and azobenzene leads to side‐on coordination of the substrate to the metal center, whereas the reaction with polar tert‐butylisonitrile gives a highly unusual structural motif in the form of an ansa‐carbene.