Controllable 1D Patterned Assembly of Colloidal Quantum Dots on PbSO4 Nanoribbons

Control of the 1D self‐assembly pattern of colloidal quantum dots (QDs) on PbSO₄ nanoribbon (NRb) templates is achieved. The internal structure of the NRbs is investigated by X‐ray diffraction, revealing the isotropic packing of the PbSO₄ nanoclusters in the NRbs. Colloidal QDs in a chloroform/hexane mixture are adsorbed onto the region close to the edges of the NRbs and form a 1D assembly of straight single line or double lines by controlling the amount of OAm. This is the first demonstration of a densely packed 1D self‐assembly of colloidal QDs with a straight line pattern without the use of any molecular bridge or adhesive. Atomic force microscopy measurements of the NRbs show depressions in the phase profile along the width of the NRbs, corresponding to the position of the 1D QD chain. The amount of adsorbed QDs on the NRbs in solution decreases as the addition of OAm increases, suggesting that additional OAm prevents interaction between the QDs and NRbs but facilitates the uniform adsorption of the 1D assembly. The low‐dimensional self‐assembly of colloidal QDs in this study opens up the possibility for the creation of anisotropically assembled QD superstructures.     

Regulating the Interfacial Electronic Coupling of Fe2N via Orbital Steering for Hydrogen Evolution Catalysis

The capability of manipulating the interfacial electronic coupling is the key to achieving on-demand functionalities of catalysts. Herein, it is demonstrated that the electronic coupling of Fe₂N can be effectively regulated for hydrogen evolution reaction (HER) catalysis by vacancy-mediated orbital steering. Ex situ refined structural analysis reveals that the electronic and coordination states of Fe₂N can be well manipulated by nitrogen vacancies, which impressively exhibit strong correlation with the catalytic activities. Theoretical studies further indicate that the nitrogen vacancy can uniquely steer the orbital orientation of the active sites to tailor the electronic coupling and thus benefit the surface adsorption capability. This work sheds light on the understanding of the catalytic mechanism in real systems and could contribute to revolutionizing the current catalyst design for HER and beyond.     

Robustly chain transitive sets with orbital shadowing diffeomorphisms

Let f be a diffeomorphism of a closed C ^∞ manifold M, and let Λ???M be a closed f-invariant set. We show that if f?|_Λ is robustly chain transitive with orbital shadowing property, then Λ is a basic set.     

基于机器视觉的点餐自动提示器设计

针对在外就餐中的盲目消费,不健康饮食等问题,提出基于机器视觉的点餐自动提示器系统;从组成系统的关键软硬件技术入手,基于光源设计、镜头及图像采集卡的选择、图像处理控制系统的设计集成,分析了系统的工作原理,设计了系统的原理结构,并在此基础上进行了原型设计;最后通过对原型系统实践应用得到的数据分析,表明该设计有助于实现科学点餐,文明就餐的预期目标,在成本得到进一步控制的前提下具有一定的应用前景。     

无捕收剂浮选的半导体能带理论讨论

用量子力学计算得到了方铅矿(PbS)和黄铁矿(FeS_2)的半导体能带图,以及分子氧和HS-离子的HOMO和LUMO的能量。计算结果画成方铅矿和黄铁矿半导体与分子氧和HS-离子作用的能级图,从电子转移微观层次上解释这两类矿物的无捕收剂浮选机理(包括自诱导浮选和硫化钠诱导浮选)。结果表明,P型半导体(以黄铁矿为典型代表)具有良好硫化钠诱导浮选行为,N型半导体(以方铅矿为典型代表)具有良好自诱导浮选行为。电子载流子浓度(n_e)与空穴载流子浓度(n_p)之比值可以作为一个参数来判断无捕收剂浮选行为:n_c/n_p值大,自诱导浮选行为好;n_p/n_e值大,硫化钠诱导浮选行为好。     

Time‐resolved investigation of Cu(In,Ga)Se2 growth and Ga gradient formation during fast selenisation of metallic precursors

Ga segregation at the backside of Cu(In,Ga)Se₂ solar cell absorbers is a commonly observed phenomenon for a large variety of sequential fabrication processes. Here, we investigate the correlation between Se incorporation, phase formation and Ga segregation during fast selenisation of Cu–In–Ga precursor films in elemental selenium vapour. Se incorporation and phase formation are analysed by real‐time synchrotron‐based X‐ray diffraction and fluorescence analysis. Correlations between phase formation and depth distributions are gained by interrupting the process at several points and by subsequent ex situ cross‐sectional electron microscopy and Raman spectroscopy. The presented results reveal that the main share of Se incorporation takes place within a few seconds during formation of In–Se at the top part of the film, accompanied by outdiffusion of In out of a ternary Cu–In–Ga phase. Surprisingly, CuInSe₂ starts to form at the surface on top of the In–Se layer, leading to an intermediate double graded Cu depth distribution. The remaining Ga‐rich metal phase at the back is finally selenised by indiffusion of Se. On the basis of a proposed growth model, we discuss possible strategies and limitations for the avoidance of Ga segregation during fast selenisation of metallic precursors. Solar cells made from samples selenised with a total annealing time of 6.5 min reached conversion efficiencies of up to 14.2 % (total area, without anti‐reflective coating). The evolution of the Cu(In,Ga)Se₂ diffraction signals reveals that the minimum process time for high‐quality Cu(In,Ga)Se₂ absorbers is limited by cation ordering rather than Se incorporation. Copyright © 2014 John Wiley & Sons, Ltd.     

NH_3、MNH_2、M_2NH(M=Na/Li)电子结构的理论研究

在MP2/6-311++G(d,p)水平对NH3、MNH2、M2NH(M=Na/Li)的构型进行优化和NPA计算。从空间构型、自然键轨道、NPA电荷、前线轨道等方面进行了分析。MNH2是由M+离子和NH-2组成的离子化合物,M2NH是M+离子和NH2-组成的离子化合物。从HOMO看,从NH3、NaNH2和Na2NH的N端,LiNH2和Li2NH的分子平面上下方进攻N原子的反应当易于进行。从LUMO看,NaNH2和LiNH2的三重态分子中N-H键易于断裂而失去H+。     

Tuning the Electronic Structure of Graphene through Collective Electrostatic Effects

Electrostatically designing materials opens a new avenue for realizing systems with user‐defined electronic properties. Here, an approach is presented for efficiently patterning the electronic structure of layered systems such as graphene by means of collective electrostatic effects. Using density‐functional theory simulations, it is found that lines of polar elements can strongly modify the energy landscape of this prototypical 2D material. This results in a confinement of electronic states in specific regions of the sample and, consequently, in a local energetic shift of the density of states. The latter is also directly reflected in the details of the band structure of the electrostatically patterned sample. Finally, it is shown that the approach can also be successfully applied to other 2D materials such as hexagonal boron nitride, where the effects are predicted to be even more pronounced than in graphene.