O-vacancy and surface on CeO2: A first-principles study

Atomic and electronic structures of CeO₂ (1 1 1), (1 1 0) and (1 0 0) surfaces are investigated using the first-principles density functional theory taking into account the on-site Coulomb interaction. Both the stoichiometric and O-deficient surfaces are examined in order to clarify the overall features. The CeO₂ (1 1 1) is found to be the most stable surface, followed by the (1 1 0) and (1 0 0) surfaces, consistent with experimental observations. Three surfaces exhibit different features of relaxation. Large relaxations are found at the (1 1 0) and (1 0 0) surfaces, while very small changes are observed at the (1 1 1) surface. It is found that the O-vacancy occurs more readily at the (1 1 0) surface as compared with the (1 1 1) surface. Furthermore, the formation energies of the O-vacancy in the surfaces are lower than that in the bulk. The energetically favorable O-vacancy locates in the second O-atomic layer for the (1 1 1) while at the surface layer for the (1 1 0). The excess electrons left with the removal of the O atom are distributed in the first two layers with certain (a considerable) fraction filling the Ce-4f states.     

Thermo-optically tunable silicon photonic crystal light modulator

We designed, fabricated, and characterized a thermo-optically tunable compact (10 μm × 10 μm) silicon photonic crystal (PhC) light modulator that operates at around 1.55 μm for TE polarization. The operational principle of the device is the modulation of the cutoff frequency in a silicon-based line defect PhC. The cutoff frequency is shifted because of the thermo-optic tuning of the silicon refractive index, which is realized by localized heating on the PhC. The modulator is formed by a triangular lattice array of cylindrical air holes on a silicon-on-insulator wafer. Optical characterization was carried out, and the result clearly showed thermo-optic tuning of the cutoff frequency at around 1.55 μm.     

Characteristics of Raman spectra of natural clinochlore at 200 degrees C and 0.95-7.70 GPa

Variation of crystal structure of natural clinochlore with pressure was investigated by the approach of diamond anvil cell (DAC) and in situ micro-Raman spectroscopic measurement at 200 degrees C and up to 7.7 GPa. The 481 and 786 cm(-1) peaks shift towards high-frequency linearly with increasing pressure at 200 degrees C. The linear relations between Raman shift (N, cm(-1)) and pressure (P, GPa) for the two peaks are: N = 11.136P+482.6 (R2 = 0.987 4) and N = 5.055P+785.7 (R2 = 0.983 7), respectively. The 865 cm(-1) peak arising from the stretching mode of the Si-O(nb) shifts slightly because of the strong repulsion between T cations at the tetrahedral sites and M cations at the octahedral sites in the TOT layer. Raman shift of 481 cm(-1) and 786 means the shortening of the length of M-O(br) and Si-CO(br) bonds since the peaks are contributed by the stretching mode of the M-O(br) and Si-O(br) respectively. No phase transition of clinochlore under the experimental condition was found. The results indicate that chlorite minerals may be stable at least at a depth of 80-90 km in the cold subduction zones, and the fluid derived from chlorite dehydration may be an important fact for earthquake occurrence in the subduction zones.     

大鼠肾脏糖胺聚糖的种类及二糖组成分析

采用两步酶解和离子交换色谱从Wistar大鼠肾脏中提取糖胺聚糖,以醋酸纤维素薄膜电泳分析糖胺聚糖种类,以弱阴离子交换色谱分离各种糖胺聚糖.纯化后的糖胺聚糖分别经特定糖胺聚糖酶裂解,采用强阴离子交换高效液相色谱(SAX-HPLC)紫外检测分析其二糖组成.结果表明,Wistar大鼠肾脏糖胺聚糖主要由硫酸乙酰肝素和少量硫酸皮肤素组成.硫酸乙酰肝素含有8种二糖,其中含有乙酰基二糖总含量高达77.6%,非硫酸化二糖(Ⅳ-A)含量为59.7%;硫酸皮肤素含有6种二糖,其中单硫酸化二糖总含量为54.8%,非硫酸化二糖含量为32.9%.     

草地退化的高光谱遥感监测方法

我国草地分布面积广,退化情况严重,实时、准确地监测草地的生态状况,对于区域气候、碳循环研究以及经济发展具有重要意义。利用地面实测光谱数据进行了高光谱草地退化监测研究。选择内蒙古呼伦贝尔市的温性草甸草原为研究对象,测量了草甸草原的羊草、克氏针茅、冷蒿等多种植物的叶片、冠层以及多种植物混合的群落反射率光谱数据。通过有效的光谱特征参量化方法,提取叶片和冠层光谱的光谱特征,准确区分了草甸草原的几种建群和退化指示草本植物,验证结果表明光谱识别的精度高于95%。以此为基础,利用线性光谱混合模型对群落植被的混合光谱数据进行混合光谱分解,得到各组分的覆盖度,误差在5%以内。该文的研究结果为高光谱遥感草地监测提供了有力依据。     

Enhancing hydrogen evolution of MoS2 basal planes by combining single-boron catalyst and compressive strain

MoS₂ is a promising candidate for hydrogen evolution reaction (HER), while its active sites are mainly distributed on the edge sites rather than the basal plane sites. Herein, a strategy to overcome the inertness of the MoS₂ basal surface and achieve high HER activity by combining single-boron catalyst and compressive strain was reported through density functional theory (DFT) computations. The ab initio molecular dynamics (AIMD) simulation on B@MoS₂ suggests high thermodynamic and kinetic stability. We found that the rather strong adsorption of hydrogen by B@MoS₂ can be alleviated by stress engineering. The optimal stress of −7% can achieve a nearly zero value of ΔG_H (~ −0.084 eV), which is close to that of the ideal Pt–SACs for HER. The novel HER activity is attributed to (i) the B– doping brings the active site to the basal plane of MoS₂ and reduces the band-gap, thereby increasing the conductivity; (ii) the compressive stress regulates the number of charge transfer between (H)–(B)–(MoS₂), weakening the adsorption energy of hydrogen on B@MoS₂. Moreover, we constructed a SiN/B@MoS₂ heterojunction, which introduces an 8.6% compressive stress for B@MoS₂ and yields an ideal ΔGH. This work provides an effective means to achieve high intrinsic HER activity for MoS₂.     

磁光平面波导的单向传播特性

表面磁等离子体(surfacemagnetoplasmons,SMPs)是一种在电介质和偏置磁场作用下磁光材料界面处传播的近场电磁波.其独特的非互易传播特性引起了大量科研工作的关注,但在具体的波导结构设计上仍存在很多问题.本文研究了一种银-硅-磁光材料的3层平面波导结构,SMPs在磁光材料和硅的界面处传播,发现在特定的频率范围内,SMPs的基模及高阶模式均具有正向或反向的单向传播特性.分别计算了旋磁与旋电材料平面波导的色散方程,研究了硅层厚度与外加磁场对能带结构及SMPs单向传播区域的影响,发现无论是旋磁或旋电材料的结构,硅层厚度的增加使高阶模式使高阶模式出现在更低的频率位置,使单向传输带宽变小甚至消失,外加磁场的变大使磁光材料的能带结构频率增大的同时带隙中也引入了高阶模式.计算了2种磁光材料平面波导的正向和反向的单向传播带宽宽度,发现旋磁材料YIG的单向SMPs模式出现在GHz波段,最大单向带宽可达到2.45 GHz;旋电材料InSb的单向SMPs模式出现在THz波段,最大单向带宽达到3.9 THz.     

K-shell ionization cross section of aluminium induced by low-energy highly charged argon ions

Al K-shell X-ray yields are measured with highly charged Ar^q+ ions (q=12–16) bombarding against aluminium. The energy range of the Ar ions is from 180 to 380 keV. K-shell ionization cross sections of aluminium are also obtained from the yields data. The experimental data is explained within the framework of 2pπ -2pσ rotational coupling. When Ar ions with 2p-shell vacancies are incident on aluminium, the vacancies begin to reduce. Meanwhile, collisions against Al atoms lead to the production of new 2p-shell vacancies of Ar ions. These Ar 2p-shell vacancies will transfer to the 1s orbit of an Al atom via 2pπ-2pσ rotational coupling leading to the emission of a K-shell X-ray of aluminiun. A model is constructed based on the base of the above physical scenario. The calculation results of the model are in agreement with the experimental results.     

Interference of a four-hole aperture for on-chip quantitative two-dimensional differential phase imaging

We present a novel on-chip method for quantitative two-dimensional differential phase imaging. This technique uses four circular holes (600 nm diameter, 1.2 mum spacing) arranged in a 'plus' pattern that are fabricated in a layer of metal above a complementary metal-oxide semiconductor (CMOS) imaging sensor. The interference pattern of the aperture shifts position with respect to the differential phase of the incident light. By imaging the interference pattern with the CMOS sensor, this method measures amplitude and differential phase (1 degrees /microm sensitivity for signal-to-noise ratio >/=16 dB) of the incident light field simultaneously. An application to optical beam profiling is presented; we show the amplitude and differential phase profiles of a Gaussian laser beam and an optical vortex.     

Stoneley waves in three-layered cylindrical solid media

This paper considers the propagation of Stoneley modes along the interfaces of three-layered concentric cylindrical solid media in order to assist in the design of ultrasonic transmission rods. The phase velocity dispersion curves and amplitude distributions are numerically analyzed. The modes are analogous to non-dispersive Stoneley waves and are confined to the vicinities of the two interfaces at high frequency. A key finding is that the peak amplitude location for each mode transfers between the two interfaces as a function of frequency. A simplified model is introduced, giving the peak amplitude locations of each mode in different frequency ranges efficiently.