Adsorption of 2‐amino‐5‐cyanopyridine on a gold surface as probed by surface‐enhanced Raman spectroscopy

The adsorption of 2‐amino‐5‐cyanopyridine (2‐ACP) was investigated in solution at different pH values by i n situ surface‐enhanced Raman scattering (SERS) spectroscopy combined with the electrochemical method. The assignments of the main bands were first performed on the basis of the spectral features of similar compounds and with the help of density functional theory calculations. The results revealed that the adsorption and the interfacial structure of 2‐ACP on the Au electrode depended on the applied potential and the pH values of the solution. In the natural solution, 2‐ACP was adsorbed on the surface with a vertical orientation by the CN group from − 0.4 to − 1.0 V, whereas in the − 0.4 to 0.8 V range, the N atom of the pyridine ring was bound to the surface. A transition region for the reorientation of the two adsorption modes was observed from − 0.8 to − 0.4 V. A flat configuration was preferred at an extremely negative potential. A similar surface adsorption behavior was observed in the alkali environment, while the Stark effect slope decreased because of the adsorption of OH⁻. Due to the protonation of N atom in the acidic solution, the potential region for the coexistence of two configurations ranged from − 0.4 to 0.2 V. Additionally, a similar adsorption configuration was proposed on the Au colloids at various pH values. The results revealed that the adsorption behavior became more complex on colloidal surfaces than that on a rigid electrode surface. Copyright © 2010 John Wiley & Sons, Ltd.     

产生纳米级暗中空光束的方法研究

用时域有限差分法，给出光纤头近场区电场强度模的空间分布.讨论了当光纤纤芯分别取不同尺寸时，对此空间光场强度的影响.要想得到较大范围的暗中空光束，必须增加光纤纤芯尺寸.并且，对光纤纤芯尺寸取一较大值和光纤中空区域尺寸取一较小值时的情况进行讨论，可得在光纤头附近可以出现与光纤中空区域尺寸大小相当的暗斑(10¹ nm量级).但是，暗中空光束中背景光较强.为此，将光纤的空心设计为金属. 发现此时中心暗斑的背景光明显减弱，在近场区域可获得较为理想的暗中空光束.如进一步缩小光纤中空区域尺寸，可以在光纤头附近获得暗斑更小甚至纳米量级的暗中空光束.为获得一种纳米量级的暗中空光束提供一种方法.     

离散孔纵向波纹隔热屏气膜冷却特性研究

本文对离散气膜孔型纵向波纹隔热屏的冷却特性进行数值计算.研究中主要参数有冷却通道无量纲高度h,波纹板无量纲高度b及气膜孔无量纲直径d.波纹板高度的变化对冷却效果的影响最为明显.波纹板高度越小,隔热屏壁面冷却效果越好.降低冷却通道高度可以提高隔热屏前面部分的冷却效果.开孔率一定,气膜孔直径较小,隔热屏冷却效果较好.     

脉冲激发三能级体系半导体量子点的单光子发射效率

研究了脉冲激发下单个半导体量子点中单光子发射的统计特性.在旋转波近似条件下，由系统粒子数演化主方程并结合量子回归理论推导了二阶相关函数的运动方程，利用此方程讨论了二阶相关函数随输入脉冲面积的关系.在窄脉冲宽度的脉冲激发下，单光子的发射概率p和效率η都随着强度的增强而产生振荡.研究表明，采用窄脉冲宽度，当输入脉冲面积在π附近时可以得到较高的单光子发射效率. 关键词： 半导体量子点 单光子发射 三能级系统     

FeS2多晶薄膜电子结构的实验研究

用磁控溅射方法制各纯Fe薄膜，并硫化合成FeS₂. 采用同步辐射X射线近边吸收谱与X射线光电子能谱研究了薄膜的电子结构. 结果表明，合成的FeS₂薄膜，在费米能级附近，有较强的Fe 3d态密度存在，同时，在价带谱中2—10eV处有强度较大的S 3p态密度存在；Fe的3d轨道在八面体配位场作用下分别为t_2g和e_g轨道，实验中由Fe的吸收谱计算得到两分裂能级之差为2.1eV;实验测得FeS₂价带结构中导带宽度约为2.4eV，导带上方仍存在第二能隙，其宽度约为2.8eV. 关键词： 磁控溅射 二硫化铁 X射线吸收近边结构 电子结构     

光频支声子对二维Heisenberg铁磁系统磁激发的影响

在二维复式正方Heisenberg铁磁系统的基础上建立了磁振子-声子相互作用模型. 利用松原格林函数理论研究了系统的磁激发，计算了布里渊区的主要对称点线上的磁振子色散曲线，比较了光频支声子与声频支声子对系统磁激发的影响以及各项参数的变化对磁振子软化的影响. 发现光频支声子-磁振子耦合对磁振子软化起主要作用，尤其是纵向光频支声子对磁振子软化起更大的作用，并且非磁性离子的光频支声子对磁振子软化的作用比磁性离子的光频支声子对磁振子软化的作用更显著.     

MgO-decorated carbon nanotubes for CO2 adsorption: first principles calculations

The global greenhouse effect makes it urgent to deal with the increasing greenhouse gases.In this paper the performance of MgO-decorated carbon nanotubes for CO 2 adsorption is investigated through first principles calculations.The results show that the MgO-decorated carbon nanotubes can adsorb CO 2 well and are relatively insensitive to O 2 and N 2 at the same time.The binding energy arrives at 1.18 eV for the single-MgO-decorated carbon nanotube adsorbing one CO 2 molecule,while the corresponding values for O 2 and N 2 are 0.55 eV and 0.06 eV,respectively.In addition,multi-molecule adsorption is also proved to be very satisfactory.These results indicate that MgO-decorated carbon nanotubes have great potential applications in industrial and environmental processes.     

Optical parametric chirped pulse amplification based on photonic crystal fibre

A compact two-stage optical parametric chirped pulse amplifier based on photonic crystal fibre is demonstrated.A 1064-nm soliton pulse is obtained in a home-made photonic crystal fibre (PCF) with femtosecond pulse pumping and then amplified to 2 mJ in an Nd:YAG regenerative amplifier.After the amplified pulses pass through the LBO crystal,the 532-nm double-frequency light with an energy of 0.8 mJ and a duration of over 100 ps at 10-Hz repetition rate is generated as a pump source in the following two-stage optical parametric amplification (OPA).The 850-nm chirped signal light gain from the stretcher is 1.5×10 4 in the first-stage OPA while it is 120 in the second-stage OPA.The total signal gain of optical parametric chirped pulse amplification (OPCPA) can reach 1.8×10 6.     

One-step hydrothermal synthesis of feather duster-like NiS@MoS<Subscript>2</Subscript> with hierarchical array structure for the Pt-free dye-sensitized solar cell

Novel feather duster-like nickel sulfide (NiS) @ molybdenum sulfide (MoS₂) with hierarchical array structure is synthesized via a simple one-step hydrothermal method, in which a major structure of rod-like NiS in the center and a secondary structure of MoS₂ nanosheets with a thickness of about 15–55 nm on the surface. The feather duster-like NiS@MoS₂ is employed as the counter electrode (CE) material for the dye-sensitized solar cell (DSSC), which exhibits superior electrocatalytic activity due to its feather duster-like hierarchical array structure can not only support the fast electron transfer and electrolyte diffusion channels, but also can provide high specific surface area (238.19 m² g^?1) with abundant active catalytic sites and large electron injection efficiency from CE to electrolyte. The DSSC based on the NiS@MoS₂ CE achieves a competitive photoelectric conversion efficiency of 8.58%, which is higher than that of the NiS (7.13%), MoS₂ (7.33%), and Pt (8.16%) CEs under the same conditions.

Open image in new window

Graphical abstract Novel feather duster-like NiS@MoS₂ hierarchical structure array with superior electrocatalytic activity was fabricated by a simple one-step hydrothermal method.

     

Electronic structures,magnetic properties and band alignments of 3d transition metal atoms doped monolayer MoS2

Utilizing first-principles calculations, the electronic structures, magnetic properties and band alignments of monolayer MoS₂ doped by 3d transition metal atoms have been investigated. It is found that in V, Cr, Mn, Fe-doped monolayers, the nearest neighboring S atoms (S_NN) are antiferromagnetically polarized with the doped atoms. While in Co, Ni, Cu, Zn-doped systems, the S_NN are ferromagnetically coupled with the doped atoms. Moreover, the nearest neighboring Mo atoms also demonstrate spin polarization. Compared with pristine monolayer MoS₂, little change is found for the band edges' positions in the doped systems. The Fermi level is located in the spin-polarized impurity bands, implying a half-metallic state. These results provide fundamental insights for doped monolayer MoS₂ applying in spintronic, optoelectronic and electronic devices.