Hydrogen evolution reaction on in-plane platinum and palladium dichalcogenides via single-atom doping

Searching for the catalysts with excellent catalytic activity and high chemical stability is the key to achieve large-scale production of hydrogen (H₂) through hydrogen evolution reaction (HER). Two-dimensional (2D) platinum and palladium dichalcogenides with extraordinary electrical properties have emerged as the potential candidate for HER catalysts. Here, chemical stability, HER electrocatalytic activity, and the origin of improved HER performance of Pt/Pd-based dichalcogenides with single-atom doping (B, C, N, P, Au, Ag, Cu, Co, Fe, Ni, Zn) and vacancies are explored by first-principles calculations. The calculated defect formation energy reveals that most defective structures are thermodynamically stable. Hydrogen evolution performance on basal plane is obviously improved by single-atoms doping and vacancies. Particularly, Zn-doped and Te vacancy PtTe₂ have a ΔG_H value close to zero. Moreover, defect engineering displays a different performance on HER catalytic activity in sulfur group elements, in order of S < Te < Se in Pd-based chalcogenides, and S < Se < Te in Pt-based chalcogenides. The origin of improved hydrogen evolution performance is revealed by electronic structure and charge transfer. Our findings of the highly activating defective systems provide a theoretical basis for HER applications of platinum and palladium dichalcogenides.     

基于熵权物元模型的长三角幸福河层次评价

将幸福河概念与长江三角洲区域一体化发展战略相结合，基于自然、人类社会、人水关系3个系统构建了包含24个指标的长三角幸福河层次评价指标体系；引入需求层次理论，以基础Ⅰ层次、基础Ⅱ层次、提升Ⅰ层次、提升Ⅱ层次、幸福层次5个层次作为幸福河的层次评价等级，运用熵权物元模型，建立了长三角幸福河层次评价模型，并对2018年长三角三省一市幸福河层次等级进行了评价。结果表明，三省一市均处于转化中的中间状态，其中江苏省向提升Ⅰ层次转化，浙江省、安徽省向提升Ⅱ层次转化，上海市向幸福层次转化，说明区域整体幸福河层次处于较高水平，但稳定性较差。     

Investigation of Ce0.9Gd0.1O2-δ dispersed Sm1.5Sr0.5NiO4+δ: Cathode for intermediate temperature solid oxide fuel cell applications

Dispersion of nanocrystalline (94–350 nm) Ce_0.9Gd_0.1O_2-δ in superfine (260–312 nm) Sm_1.5Sr_0.5NiO_4+δ using modified precipitation technique is established using X-ray powder diffraction, scanning electron microscopy and transmission electron microscopy. Presence of Ce_0.9Gd_0.1O_2-δ grains inhibits grain growth of Sm_1.5Sr_0.5NiO_4+δ, which provides morphological stability (up to 1100 °C). Ce_0.9Gd_0.1O_2-δ concentration dependent behaviours of ionic conductivity, surface exchange rate and electrode polarization resistance (R_p) of composites (determined using electrochemical impedance spectroscopy) are comprehended using percolation model. Three oxygen reduction reaction mechanisms are considered to understand electrochemical performance. Minimum R_p (0.81 Ω cm² at 700 °C) for 70Sm_1.5Sr_0.5NiO_4+δ:30Ce_0.9Gd_0.1O_2-δ is correlated to percolation threshold (optimum (i) electrochemically active sites (ii) oxygen reduction reaction kinetics, (iii) O^2- conductivity and (iv) charge transfer rate). Nano crystallite size of Ce_0.9Gd_0.1O_2-δ is crucial for enhancement in electrochemical performance. Oxygen partial pressure dependent electrochemical impedance spectroscopy studies reveal dominance of coexisting non-charge transfer oxygen adsorption/desorption and bulk O^2- diffusion.     

A Review of Guidance Approaches in Visual Data Analysis: A Multifocal Perspective

Visual data analysis can be envisioned as a collaboration of the user and the computational system with the aim of completing a given task. Pursuing an effective system‐user integration, in which the system actively helps the user to reach his/her analysis goal has been focus of visualization research for quite some time. However, this problem is still largely unsolved. As a result, users might be overwhelmed by powerful but complex visual analysis systems which also limits their ability to produce insightful results. In this context, guidance is a promising step towards enabling an effective mixed‐initiative collaboration to promote the visual analysis. However, the way how guidance should be put into practice is still to be unravelled. Thus, we conducted a comprehensive literature research and provide an overview of how guidance is tackled by different approaches in visual analysis systems. We distinguish between guidance that is provided by the system to support the user, and guidance that is provided by the user to support the system. By identifying open problems, we highlight promising research directions and point to missing factors that are needed to enable the envisioned human‐computer collaboration, and thus, promote a more effective visual data analysis.     

中国建筑话语中的“文脉”(1980年代-1990年代)

对"文脉"一词进入中国建筑话语的历史作出概览式的回顾,并分别以"阙里宾舍"和"西单商业大楼"为例,从设计者的自述与建筑界的评论入手,探讨1980年代末到1990年代初"文脉热"兴起的可能原因。指出对"复古主义"的批判和创作有"民族特色"建筑的愿望是"文脉"一词背后潜在的诉求,同时,也警醒地看到,基于特定时代背景,中国建筑界对西方后现代主义等建筑思潮不可避免地片面理解和吸收,也造成了"文脉"逐渐丧失了其本应具有的批判性与创造力。     

基于间隔理论的过采样集成算法

针对传统集成算法不适用于不平衡数据分类的问题，提出基于间隔理论的AdaBoost算法（MOSBoost）。首先通过预训练得到原始样本的间隔；然后依据间隔排序对少类样本进行启发式复制，从而形成新的平衡样本集；最后将平衡样本集输入AdaBoost算法进行训练以得到最终集成分类器。在UCI数据集上进行测试实验，利用F-measure和G-mean两个准则对MOSBoost、AdaBoost、随机过采样AdaBoost（ROSBoost）和随机降采样AdaBoost（RDSBoost）四种算法进行评价。实验结果表明，MOSBoost算法分类性能优于其他三种算法，其中，相对于AdaBoost算法，MOSBoost算法在F-measure和G-mean准则下分别提升了8.4%和6.2%。     

A globally exponentially stable speed observer for a class of mechanical systems: experimental and simulation comparison with high-gain and sliding mode designs

It is shown in the paper that the problem of speed observation for mechanical systems that are partially linearisable via coordinate changes admits a very simple and robust (exponentially stable) solution with a Luenberger-like observer. This result should be contrasted with the very complicated observers based on immersion and invariance reported in the literature. A second contribution of the paper is to compare, via realistic simulations and highly detailed experiments, the performance of the proposed observer with well-known high-gain and sliding mode observers. In particular, to show that – due to their high sensitivity to noise, that is unavoidable in mechanical systems applications – the performance of the two latter designs is well below par.     

The digital public humanities: giving new arguments and new ways to argue

ABSTRACT

In response to the latest “crisis” in the humanities, advocates have marched, rallied, fundraised, and—especially—argued. This essay contends that communication scholars can support the growing “case for the humanities” by analyzing argumentative strategies, and more specifically, by offering ethical argumentative strategies that avoid replicating structures of domination. In particular, we look to Mari Lee Mifsud's theorization of rhetoric as gift, which follows Henry W. Johnstone in conceptualizing argument as something other than winning over an adversary. We place Mifsud's theorization of the gift in conversation with the methods of the digital public humanities (DPH), which acknowledge and offer abundant resources for meaning-making. Through the methods of DPH, we offer a response to the humanities “crisis” that activates the humanities’ already broad constituencies by giving resources for humanistic inquiry rather than seeking to capture adversaries. Our case study is Photogrammar, a DPH project for organizing, searching, and visualizing the New Deal and World War II era photographs funded by the U.S. federal government. The project forefronts visual, nonlinear, and interactive argumentation in order to engage publics in generative humanistic inquiry. By enlisting participants and sharing expertise, Photogrammar shows how humanities advocates can deepen attachments to the humanities and build broad constituencies of collaborators and allies.     

Enhancing optical absorption in visible light of ZnO co-doped with europium and promethium by first-principles study through modified Becke and Johnson potential scheme

By using first-principles calculations we studied the electronic, optical and magnetic properties of ZnO co-doped with Eu and Pm. In this calculation, we used Wien2k code based on full potential linearized augmented plane waves (FP-LAPW) method with the modified Becke-Johnson (mBJ) approximation. This correction gives good band gap compared to experimental band gap. The introduction of Eu and Pm codoping leads to an increase in the band gap. Electrons can transit easily from the valence band to the conduction band, which results in an enhancement of visible light absorption in a wider absorption range. Absorption spectra reach a high value in visible and infrared light regions. With the significance of the obtained results, the studied compounds may potentially find spintronic and optoelectronic applications.     

Theoretical kinetic study of the reaction between dimethyl disulfide and OH radicals

The potential energy profile of the reaction between dimethyl disulfide and OH^? radicals is explored by utilizing ab initio and hybrid meta density functional theory methods. Having the energies and structural data of the stationary points, statistical rate theories, such as transition state theory and variable reaction coordinate-transition state theory, are employed to compute the overall rate constants, and discuss the mechanism and product channels. On the basis of the calculations, the overall rate coefficient is predicted to be 2.49?×?10^?10?cm³?molecule^?1?s^?1 at 298?K. It is found that in the most favorable pathway, the reaction proceeds via formation of the relatively unstable intermediate CH₃S^?(OH)SCH₃ decomposing rapidly to yield CH₃S^?+CH₃SOH.