Commensurate Nb2Zr5O15: Accessible Within the Field Nb2ZrxO2x+5 After All

Doped niobium zirconium oxides are applied in field-effect transistors and as special-purpose coatings. Whereas their material properties are sufficiently known, their crystal structures remain widely uncharacterized. Herein, we report on the comparably mild sol–gel synthesis of Nb2Zr5O15 and the elucidation of its commensurately modulated structure via neutron diffraction. We describe the structure using the most appropriate superspace as well as the convenient supercell approach. It is part of an α-PbO2-homeotypic field with the formula Nb2ZrxO2x+5, which has previously been reported only for x ≥ 5.1, and is closely related to the structure of Hf3Ta2O11. The results, supported by X-ray diffraction and additional synthesis experiments, are contextualized within the existing literature. Via the sol–gel route, metastable Nb–Zr–O compounds and their heavier congeners are accessible that shed light on possible structures of these commercially utilized materials.DFG, 198634447, SPP 1613: Regenerativ erzeugte Brennstoffe durch lichtgetriebene Wasserspaltung: Aufklärung der Elementarprozesse und Umsetzungsperspektiven auf technologische KonzepteTU Berlin, Open-Access-Mittel - 201

Stannites – a new promising class of durable electrocatalysts for efficient water oxidation

The oxygen evolution reaction (OER) through water oxidation is a key process for multiple energy storage technologies required for a sustainable energy economy such as the formation of the fuel hydrogen from water and electricity, or metal‐air batteries. Herein, we investigate the suitability of Cu2FeSnS4 for the OER and demonstrate its superiority over iron sulfide, iron (oxy)hydroxides and benchmark noble‐metal catalysts in alkaline media. Electrodeposited Cu2FeSnS4 yields the current densities of 10 and 1000 mA/cm2 at overpotentials of merely 228 and 330 mV, respectively. State‐of‐the‐art analytical methods are applied before and after electrocatalysis to uncover the fate of the Cu2FeSnS4 precatalyst under OER conditions and to deduce structure‐activity relationships. Cu2FeSnS4 is the first compound reported for OER among the broad class of stannite structure type materials containing multiple members with highly active earth‐abundant transition‐metals for OER.DFG, 390540038, EXC 2008: Cluster of Excellence UniSysCatTU Berlin, Open-Access-Mittel - 201

First proof of concept of remote attendance for future observation strategies between Wettzell (Germany) and Concepción (Chile)

Current VLBI observations are controlled and attended locally at the radio telescopes on the basis of pre-scheduled session files. Operations have to deal with system specific station commands and individual setup procedures. Neither the scheduler nor the correlator nor the data-analyst gets real-time feedback about system parameters during a session. Changes in schedules after the start of a session by remote are impossible or at least quite difficult. For future scientific approaches, a more flexible mechanism would optimize the usage of resources at the sites. Therefore shared-observation control between world-wide telescope s, remote attendance/control as well as completely unattended-observations could be useful, in addition to the classic way to run VLBI observations. To reach these goals, the Geodetic Observatory Wettzell in cooperation with the Max-Planck-Institute for Radio Astronomy (Bonn) have developed a software extension to the existing NASA Field System for remote control. It uses the principle of a remotely accessible, autonomous process cell as server extension to the Field System on the basis of Remote Procedure Calls (RPC). Based on this technology the first completely remote attended and controlled geodetic VLBI session between Wettzell, Germany and Concepción, Chile was successfully performed over 24 hours. This first test was extremely valuable for gathering information about the differences between VLBI systems and measuring the performance of internet connections and automatic connection re-establishments. During the 24h-session, the network load, the number of sent/received packages and the transfer speed were monitor ed and captured. It was a first reliable test for the future wishes to control several telescopes with one graphical user interface on different data transfer rates over large distances in an efficient way. In addition, future developments for an authentication and user role management will be realized within the upcoming NEXPReS project

At the Gates: The Tantalum-Rich Phase Hf3Ta2O11 and its Commensurately Modulated Structure

Generic mixtures in the system (Zr,Hf)O2–(Nb,Ta)2O5 are employed as tunable gate materials for field-effect transistors. Whereas production processes and target compositions are well-defined, resulting crystal structures are vastly unexplored. In this study, we summarize the sparse reported findings and present the new phase Hf3Ta2O11 as synthesized via a sol–gel route. Its commensurately modulated structure represents the hitherto unknown, metal(V)-richest member of the family (Zr,Hf)x(Nb,Ta)2O2x+5. Based on electron, neutron, and X-ray diffraction, the crystal structure is described within modern superspace [Hf1.2Ta0.8O4.4, Z = 2, a = 4.7834(13), b = 5.1782(17), c = 5.064(3) Å, q = 1/5c*, orthorhombic, superspace group Xmcm(00γ)s00] and supercell formalisms [Hf3Ta2O11, Z = 4, a = 4.7834(13), b = 5.1782(17), c = 25.320(13) Å, orthorhombic, space group Pbnm]. Transmission electron microscopy shows the microscopic structure from film-like aggregates down to atomic resolution. Cation ordering within the different available coordination environments is possible, but no significant hint at it is found within the limits of standard diffraction techniques. Hf3Ta2O11 is an unpredicted compound in the above-mentioned oxide systems, in which stability ranges have been disputably fuzzy and established only by syntheses via solid-state routes so far.DFG, SPP 1613, Regenerativ erzeugte Brennstoffe durch lichtgetriebene Wasserspaltung: Aufklärung der Elementarprozesse und Umsetzungsperspektiven auf technologische Konzept

Heterogeneity of Graphite Lithiation in State‐of‐the‐Art Cylinder‐Type Li‐Ion Cells

The two‐dimensional lithium distribution in the graphite anode was non‐destructively probed by spatially resolved neutron diffraction for a batch consisting of 34 different cylinder‐type (18650) Li‐ion batteries in fully charged state. The uniformity of the lithium distribution was quantified and correlated to the cell specifications/electrochemistry and to intrinsic cell parameters like electrode thickness, position of current collectors, etc. which were obtained by X‐ray micro‐computed tomography. Non‐uniformities in the lithiation state of the anode from a constant plateau have been observed for the majority of the studied cells. Their location corresponds to the positions of current tabs connecting the electrode stripes and areas of incomplete electrode coating at the beginning and the end of the electrode stripes. Four commonly used schemes of current lid connection were identified. Each of them displays its own effect on the uniformity of the lithiation at the anode and, therefore, variation of the intrinsic state‐of‐charge distribution and, most probably, the ageing behavior of the electrodes

The migrant perspective: Measuring migrants' movements and interests using geolocated tweets

Geolocated social media data hold a hitherto untapped potential for exploring the relationship between user mobility and their interests at a large scale. Using geolocated Twitter data from Nigeria, we provide a feasibility study that demonstrates how the linkage of (1) a trajectory analysis of Twitter users' geolocation and (2) natural language processing of Twitter users' text content can reveal information about the interests of migrants. After identifying migrants via a trajectory analysis, we train a language model to automatically detect the topics of the migrants' tweets. Biases of manual labelling are circumvented by learning community‐defined topics from a Nigerian web forum. Results suggest that differences in users' mobility correlate with varying interests in several topics, most notably religion. We find that Twitter data can be a flexible source for exploring the link between users' mobility and interests in large‐scale analyses of urban populations. The joint use of spatial techniques and text analysis enables migration researchers to (a) study migrant perspectives in greater detail than is possible with census data and (b) at a larger scale than is feasible with interviews. Thereby, it provides a valuable complement to interviews, surveys and censuses, and holds a large potential for further research

Powder diffraction computed tomography: A combined synchrotron and neutron study

Diffraction and imaging using x-rays and neutrons are widely utilized in different fields of engineering, biology, chemistry and/or materials science. The additional information gained from the diffraction signal by x-ray diffraction and computed tomography (XRD-CT) can give this method a distinct advantage in materials science applications compared to classical tomography. Its active development over the last decade revealed structural details in a non-destructive way with unprecedented sensitivity. In the current contribution an attempt to adopt the well-established XRD-CT technique for neutron diffraction computed tomography (ND-CT) is reported. A specially designed \u27phantom\u27, an object displaying adaptable contrast sufficient for both XRD-CT and ND-CT, was used for method validation. The feasibility of ND-CT is demonstrated, and it is also shown that the ND-CT technique is capable to provide a non-destructive view into the interior of the \u27phantom\u27 delivering structural information consistent with a reference XRD-CT experiment