块菌的傅里叶变换红外光谱研究

块菌是珍稀野生食用菌,其蛋白质和糖类含量较高,块菌多糖具有潜在的药用价值。文章利用傅里叶变换红外光谱技术(FTIR)对五种云南野生块菌作了研究。结果表明,块菌属真菌有其独特的光谱特征,全谱最强峰为出现在1 042和1 077 cm-1附近的强双峰。在脂分子的羰基峰1 742 cm-1及糖类异构体的指纹区1 200～750 cm-1,不同种类、不同产地块菌的光谱有明显差异,另外,正常块菌和霉变块菌的光谱亦有明显差异,主要体现在谱峰吸收强度的变化上,部分谱峰吸收强度比的变化表明,块菌样品变质前后,其蛋白质和糖类物质的含量发生了变化。FTIR光谱提供了块菌成分的有关化学信息,为鉴别块菌和区分块菌的种类、质量提供了简便快捷的手段。     

Silicon-based optoelectronic heterogeneous integration for optical interconnection

The performance of optical interconnection has improved dramatically in recent years. Silicon-based optoelectronic heterogeneous integration is the key enabler to achieve high performance optical interconnection, which not only provides the optical gain which is absent from native Si substrates and enables complete photonic functionalities on chip, but also improves the system performance through advanced heterogeneous integrated packaging. This paper reviews recent progress of silicon-based opt...     

甲醛和过氧化氢分子振动光谱的路径积分刘维尔动力学模拟

本文采用路径积分刘维尔动力学计算偶极矩时间导数的关联函数来得到红外光谱，通过与真实振动频率相比，发现路径积分刘维尔动力学可以比较忠实地描述振动动力学过程中的核量子效应，能够准确刻画系统温度变化和同位素取代效应引起的振动光谱变化.     

FeYO3/Y2O3:1;Eu3+,1;Tb3+粉体的制备及其磁性研究

以FeCl2和KOH为原料采用水热法制备Fe3 O4粉体,然后以氧化钇、氧化铕和氧化铽为原料制备Eu3+,Tb3+共掺杂的Y2 O3荧光粉体,并通过XRD对粉体的物相结构进行分析;然后以三聚氰胺以及所制备的Fe3 O4和Y2 O3:Eu3+,Tb3+粉体为原料,采用微波烧结法在Ar气氛下制备FeYO3/Y2 O3:1;Eu3+,1;Tb3+粉体,并对其磁学性能进行了研究.研究结果表明:当Fe3 O4,Y2 O3:1;Eu3+,1;Tb3+和三聚氰胺比例为1:3:4时,所制备的FeYO3/Y2 O3:1;Eu3+,1;Tb3+粉体的磁力饱和强度为12.299 emu·g-1,磁力最强.     

Nanoscale Phase Separation-Induced Suppression of Geminate Recombination in Low Bandgap Polymer-Fullerene Solar Cells

The short-circuit current of polymer solar cells based on a PCPDTBT：PC71BM blend is substantially increased by using a processing additive. It is found that the significant geminate recombination in the PCPDTBT：PC71 BM blend film is dramatically suppressed by using a processing additive which can produce a nanoscale PCPDTBT and PC71BM phase separation. The processing additive-induced aggregation of PCPDTBT polymer chains and PC71BM molecules can give rise to a driving force for the separation of charge-transfer states at the donor/acceptor interfaces into the free charge carriers and thus geminate recombination is suppressed.     

光致取向调控偶氮苯侧链液晶聚合物的阻隔特性研究

研究了液晶分子的排列方式对聚合物膜阻隔特性的影响,采用473 nm线偏振光照无定形偶氮液晶聚合物,使其介晶基元发生从无序到有序的取向排列.用膜透射率变化和锥光干涉图表征了分子的取向,其锥光干涉图为粗黑十字,说明在线偏振光下作用下液晶分子取向形成了单相畴沿面内排列的有序态.用金属表面氧化法进一步研究了取向态聚合物膜的阻隔...     

铝对多巴胺和左旋多巴氧化的化学催化作用的电化学和光谱学研究

用电化学、紫外-可见光谱和^13C-核磁共振谱研究了铝(Ⅲ)对多巴胺和左旋多巴氧化的化学催化作用。结果表明,在中性和碱性条件下铝(Ⅲ)均能促进多巴胺和左旋多巴的氧化,这一促进作用提高了用多巴胺和左旋多巴作电活性配体示差脉冲伏安法间接测铝的灵敏度。但是抗坏血酸有抑制铝(Ⅲ)的催化效应的作用。     

虚时路径积分的广义四阶拆分方法及其谐振子分析

虚时路径积分方法是计算实际体系量子热力学性质的有效工具. 本文重点分析讨论了基于二阶和四阶拆分的虚时路径积分的有效性,给出谐振子体系配分函数统一的解析形式,进而得到其热力学性质和主要误差的表达式. 通过去除谐振子配分函数的主要误差,广义对称四阶拆分中的自由参数得以固定,以此计算实际体系的热力学量可以达到期望的三阶精度.     

自组装制备二氧化铪图案化薄膜

采用短波紫外光(UV)在十八烷基三氯硅烷(OTS)自组装单分子层刻蚀不同的微型图案,利用液相自组装技术在OTS模板表面沉积HfO₂图案化薄膜。通过XRD、AFM、SEM、EDS等测试手段对OTS膜和HfO₂薄膜进行表征,结果表明：以OTS为模板利用液相自组装技术成功制备出边缘轮廓清晰、粗糙度较小、条纹宽度为10μm的立方晶型的HfO₂图案化薄膜。     

理解随机过程分子动力学中的真实/虚拟动力学

Molecular dynamics with the stochastic process provides a convenient way to compute structural and thermodynamic properties of chemical, biological, and materials systems. It is demonstrated that the virtual dynamics case that we proposed for the Langevin equation[J. Chem. Phys. 147, 184104 (2017)] in principle exists in other types of stochastic thermostats as well. The recommended "middle" scheme[J. Chem. Phys. 147, 034109 (2017)] of the Andersen thermostat is investigated as an example. As shown by both analytic and numerical results, while the real and virtual dynamics cases approach the same plateau of the characteristic correlation time in the high collision frequency limit, the accuracy and efficiency of sampling are relatively insensitive to the value of the collision frequency in a broad range. After we compare the behaviors of the Andersen thermostat to those of Langevin dynamics, a heuristic schematic representation is proposed for understanding efficient stochastic thermostatting processes with molecular dynamics.