Helmholtz-Zentrum Berlin für Materialien und Energie

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    24378 research outputs found

    Strommarkt Einheitliche Gebotszone aufteilen

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    Die Diskussion um die Beibehaltung einer einheitlichen Gebotszone im Gro handelsstrommarkt wird zwar bereits seit 20 Jahren geführt, ist aktuell aber wieder in vollem Gange FAZ, 2024a, 2024b . Im Kern geht es darum, dass, selbst wenn physikalische Netzengpässe dies unmöglich machen, jeder Stromerzeuger mit jedem Stromkunden in Deutschland handeln kann, ohne dabei diese Engpässe berücksichtigen zu müssen .

    Local lattice distortions and chemical short range order in MoNbTaW

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    Extended X ray absorption fine structure EXAFS conducted on an equiatomic MoNbTaW bcc medium entropy alloy that was annealed at 2273 amp; 8201;K reveals unexpectedly small 1st and 2nd shell element specific lattice distortions. An experimental size mismatch parameter, amp; 120575;exp, is determined to be ca. 50 lower than the corresponding calculated value. Around W, short range order SRO preferring 4d elements in the 1st and 2nd shells persists. A Nb W ordering is found, which is reminiscent of ordering emerging at lower temperatures in the B2 Mo,W;Ta,Nb and B32 Nb,W phases. With high temperature ordering preferences in fcc also foreshadowing low temperature phase, these findings suggest a general feature of high temperature SR

    Non laser and all vapor phase processed perovskite solar modules stabilized by naturally formed barrier layers

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    When the module channels are made by conventional laser scribing, the heat sensitive perovskite materials decompose, and the decomposition of perovskites in the open channel leads to reduced module stability, and the electrode corrosion caused by the direct contact between the exposed perovskites and the metal electrode significantly increases the series resistance of the module. We develop a non laser additive method for manufacturing PSMs, in which an adjustable wire mask AWM was used to form the channels that were traditionally scribed by lasers. All layers, including perovskites, hole electron transporting, and passivating and electrode layers, were fabricated via vapor phase deposition, and by tuning the precursor composition, a power conversion efficiency PCE of 21.7 was obtained. Geometrical fill factor GFF of 98 was achieved via the method, even higher than most laser processed PSMs, and thanks to the naturally formed barrier layers, the modules showed good stabilit

    How to take down the terminator

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    In bacteria, production of aberrant RNAs and transcription of foreign genes, including those on phages, are readily terminated by a hexameric ATPase, Rho. However, to make necessary transcripts, particularly during stress, bacteria depend on mechanisms to temper Rho activity. Similarly, phages have evolved diverse Rho inhibitory mechanisms to enable the expression of their own genomes. In recent years, the structural bases of many such anti termination mechanisms have been elucidate

    On the expressivity of embedding quantum kernels

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    One of the most natural connections between quantum and classical machine learning has been established in the context of kernel methods. Kernel methods rely on kernels, which are inner products of feature vectors living in large feature spaces. Quantum kernels are typically evaluated by explicitly constructing quantum feature states and then taking their inner product, here called embedding quantum kernels. Since classical kernels are usually evaluated without using the feature vectors explicitly, we wonder how expressive embedding quantum kernels are. In this work, we raise the fundamental question can all quantum kernels be expressed as the inner product of quantum feature states? Our first result is positive Invoking computational universality, we find that for any kernel function there always exists a corresponding quantum feature map and an embedding quantum kernel. The more operational reading of the question is concerned with efficient constructions, however. In a second part, we formalize the question of universality of efficient embedding quantum kernels. For shift invariant kernels, we use the technique of random Fourier features to show that they are universal within the broad class of all kernels which allow a variant of efficient Fourier sampling. We then extend this result to a new class of so called composition kernels, which we show also contains projected quantum kernels introduced in recent works. After proving the universality of embedding quantum kernels for both shift invariant and composition kernels, we identify the directions towards new, more exotic, and unexplored quantum kernel families, for which it still remains open whether they correspond to efficient embedding quantum kernel

    Monolithic Electrically Driven Retroreflector Based on Gold Nanoparticles Embedded in Ferroelectric Polymer

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    The surface plasmon resonance SPR observed in metal nanostructures finds application in biosensing, optical communication technologies, and neuromorphic computing. There it enables the detection and transduction of dielectric environment changes in the vicinity of the metal nanostructure. Combining this principle with materials where the dielectric environment can be electrically modulated, it becomes possible to realize active optoelectronic plasmonic devices specifically designed for optical communication technologies. In this work, the use of an organic ferroelectric polymer to reversibly modulate the localized SPR LSPR of gold nanoparticles AuNPs inducing a reversible spectral shift of the resonance is investigated. The proposed plasmonic modulator is based on a two terminal device composed of AuNPs deposited on a transparent conductive electrode, covered by a ferroelectric polymer poly vinylidene fluoride co trifluoroethylene with a metallic electrode on top also serving as the mirror. By applying a voltage bias between the two electrodes, an electric field is generated within the device, enabling precise control over the dielectric environment of the AuNPs and thereby modulating the LSPR. It is demonstrated that this concept can be easily fabricated, potentially flexible, lightweight, and robust, making it an attractive choice for optical communication devices, particularly as a free space modulating retroreflecto

    Structural Basis for Inhibition of the SARS CoV 2 nsp16 by Substrate Based Dual Site Inhibitors

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    Coronaviruses, including SARS CoV 2, possess an mRNA 5 amp; 8242; capping apparatus capable of mimicking the natural eukaryotic capping signature. Two SAM dependent methylating enzymes play important roles in this process nsp14 methylates the N7 of the guanosine cap, and nsp16 nsp10 methylates the 2 amp; 8242; O of subsequent nucleotides of viral mRNA. The 2 amp; 8242; O methylation performed by nsp16 nsp10 is crucial for the escape of the viral RNA from innate immunity. Inhibition of this enzymatic activity has been proposed as a way to combat coronaviruses. In this study, we employed X ray crystallography to analyze the binding of the SAM analogues to the active site of nsp16 nsp10. We obtained eleven 3D crystal structures of the nsp16 nsp10 complexes with SAM derived inhibitors, demonstrated different conformations of the methionine substituting part of the molecules, and confirmed that simultaneous dual site targeting of both SAM and RNA sites correlates with higher inhibitory potentia

    Synthesis of Iron IV Alkynylide Complexes and Their Reactivity to Form 1,3 Diynes

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    The isolation of thermally unstable and highly reactive organoiron IV complexes is a challenge for synthetic chemists. In particular, the number of examples where the C based ligand is not part of the chelating ligand remains scarce. These compounds are of interest because they could pave the way to designing catalytic cycles of bond forming reactions proceeding via organoiron IV intermediates. Herein, we report the synthesis and characterization, including single crystal X ray diffraction, of a family of alkynylferrates III and Fe IV alkynylide complexes. The alkynylferrates III are formed by transmetalation of the Fe III precursor [ N3N FeIII] N3N 3 amp; 8722; is tris N tert butyldimethylsilyl 2 amidoethyl amine with lithium alkynylides, and their further one electron oxidation enables the synthesis of the corresponding Fe IV alkynylides. The electronic structure of this family of organometallic Fe III and Fe IV complexes has been thoroughly investigated by spectroscopic methods EPR, NMR, 57Fe Mössbauer, X Ray absorption XAS and emission XES spectroscopies and theoretical calculations. While alkynylferrates III are sluggish to engage into C amp; 8722;C bond forming processes, the Fe IV alkynylides react to afford 1,3 diynes at room temperature. A bimolecular reductive elimination from a bimetallic Fe IV intermediate to form the 1,3 diynes is proposed based on the mechanistic investigations performe

    Sulfonated hydrogel electrolyte enables dendrite free zinc ion batteries

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    Metallic Zn anode is plagued by severe side reactions and dendrite growth, preventing the commercial development of Zn ion batteries ZIBs . Semi solid state hydrogel electrolyte has received immense attention in aqueous Zn ion batteries due to their intrinsic advantages e.g., wider electrochemical windows, good interfacial compatibility, and multi functional applications . However, their inferior ionic conductivity and mechanical deformation tolerance are the main barriers to realizing the true application in ZIBs. Herein, a hydrogel electrolyte with high ionic conductivity and high flexibility is fabricated through sulfonated chitosan and further cross linking with polyacrylamide. Accordingly, the ion conductivity of the hydrogel electrolyte increases from 28.2 to 38.1 mS cm amp; 8722;1, whilst tensile strength is elevated from 19.1 to 54.2 kPa. With this hydrogel electrolyte, the Zn Zn symmetric cells show exceptional cycle stability over 2600 h at the current density of 1 mA cm amp; 8722;2, and the Zn Cu asymmetric cells demonstrate nearly 100 coulomb efficiency over 1200 cycles. In addition, NH4V4O10 Zn full cells enable capacity retention of as high as 96.1 even over 500 cycles, and the as assembled flexible batteries can stand bending, twisting, and cutting operation without comprising the electrochemical performanc

    Regulating Surface Heterogeneity Maximizes Photovoltage and Operational Stability in Tin Lead Perovskite Solar Cells

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    We present a surface reconstruction strategy for tin lead perovskites, effectively addressing the issue of oxidized Sn fragments on surfaces and interfaces. Our surface treatment involving postfabrication iodide supplementation effectively regulates undesired surface binding states and reconstructs the compositional gradient. Through surface sensitive and depth resolved analysis, we unveil a strong correlation among surface compositional disorder, photovoltage, and operational stability in tin lead perovskites. Surface reconstructed perovskite films demonstrate improved carrier lifetime, reduced defect density, and higher recombination resistance compared with untreated films. As a result, devices utilizing surface reconstructed perovskites exhibit remarkable performance with high power conversion efficiency up to 23 and open circuit voltage 0.88 V , alongside enhanced operational stability compared to untreated counterparts. These insights into the surface vulnerabilities of mixed tin lead perovskites, coupled with the underlying chemistry of surface passivation, pave the way for significant advancements in narrow band gap perovskite solar cell

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