Helmholtz-Zentrum Berlin für Materialien und Energie

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    24378 research outputs found

    Exponentially tighter bounds on limitations of quantum error mitigation

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    Quantum error mitigation has been proposed as a means to combat unwanted and unavoidable errors in near term quantum computing without the heavy resource overheads required by fault tolerant schemes. Recently, error mitigation has been successfully applied to reduce noise in near term applications. In this work, however, we identify strong limitations to the degree to which quantum noise can be effectively undone for larger system sizes. Our framework rigorously captures large classes of error mitigation schemes in use today. By relating error mitigation to a statistical inference problem, we show that even at shallow circuit depths comparable to those of current experiments, a superpolynomial number of samples is needed in the worst case to estimate the expectation values of noiseless observables, the principal task of error mitigation. Notably, our construction implies that scrambling due to noise can kick in at exponentially smaller depths than previously thought. Noise also impacts other near term applications by constraining kernel estimation in quantum machine learning, causing an earlier emergence of noise induced barren plateaus in variational quantum algorithms and ruling out exponential quantum speed ups in estimating expectation values in the presence of noise or preparing the ground state of a Hamiltonia

    Development of Iron Based Single Atom Materials for General and Efficient Synthesis of Amines

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    Earth abundant metal based heterogeneous catalysts with highly active and at the same time stable isolated metal sites constitute a key factor for the advancement of sustainable and cost effective chemical synthesis. In particular, the development of more practical, and durable iron based materials is of central interest for organic synthesis, especially for the preparation of chemical products related to life science applications. Here, we report the preparation of Fe single atom catalysts Fe SACs entrapped in N doped mesoporous carbon support with unprecedented potential in the preparation of different kinds of amines, which represent privileged class of organic compounds and find increasing application in daily life. The optimal Fe SACs allow for the reductive amination of a broad range of aldehydes and ketones with ammonia and amines to produce diverse primary, secondary, and tertiary amines including N methylated products as well as drugs, agrochemicals, and other biomolecules amino acid esters and amides utilizing green hydroge

    Faithfully Simulating Near Term Quantum Repeaters

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    Quantum repeaters have long been established to be essential for distributing entanglement over long distances. Consequently, their experimental realization constitutes a core challenge of quantum communication. However, there are numerous open questions about implementation details for realistic near term experimental setups. In order to assess the performance of realistic repeater protocols, here we present ReQuSim, a comprehensive Monte Carlo based simulation platform for quantum repeaters that faithfully includes loss and models a wide range of imperfections such as memories with time dependent noise. Our platform allows us to perform an analysis for quantum repeater setups and strategies that go far beyond known analytical results This refers to being able to both capture more realistic noise models and analyze more complex repeater strategies. We present a number of findings centered around the combination of strategies for improving performance, such as entanglement purification and the use of multiple repeater stations, and demonstrate that there exist complex relationships between them. We stress that numerical tools such as ours are essential to model complex quantum communication protocols aimed at contributing to the quantum Interne

    Deciphering the Influence of Morphology and Crystal Structure on Alkaline Hydrogen Evolution Activity in Polymorphic Cobalt Diselenide

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    Polymorphic cobalt diselenide CoSe2 has emerged as a highly promising catalyst for the alkaline hydrogen evolution reaction HER due to its favorable electrocatalytic activity and stability. Previous studies have emphasized the unique advantages of different crystal structures orthorhombic and cubic of CoSe2 in the HER. This prompted us to investigate whether the HER catalytic activity of polymorphic CoSe2 phases is contingent on their crystal structure and morphology. Specifically, we fabricated two distinct phases of CoSe2, namely, orthorhombic and cubic, each characterized by unique morphologies on carbon cloth CC and referred to as o CoSe2 CC and c CoSe2 CC. The o CoSe2 CC exhibits Cadamba like flower structures, while c CoSe2 CC has a densely packed and vertically aligned nanoneedle like morphology. Interestingly, our findings indicate that both catalysts demonstrated analogous HER performance under identical reaction conditions. For instance, o CoSe2 CC achieved an overpotential of 178 3 mV 10 mA cm 2 with a Tafel slope of 111 5 mV dec 1, closely mirroring the performance of c CoSe2 CC 187 4 mV, 112.8 3 mV dec 1 . This equivalence in the performance can be attributed to several factors, including their similar electrochemically active surface areas, equivalent numbers of active sites, comparable reaction kinetics, and analogous charge transfer rates. This research work decisively demonstrates that in polymorphic materials, structural variations and morphological differences may have minimal influence on dictating the HER activity, while the number and kind of active sites are the dominant factors in regulating the HER activit

    Individual nanostructures in an epsilon near zero material probed with 3D sculpted light

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    Epsilon near zero ENZ materials, i.e., materials with a vanishing real part of the permittivity, have become an increasingly desirable platform for exploring linear and nonlinear optical phenomena in nanophotonic and on chip environments. ENZ materials inherently enhance electric fields for properly chosen interaction scenarios, host extreme nonlinear optical effects, and lead to other intriguing phenomena. To date, studies in the optical domain have mainly focused on nanoscopically thin films of ENZ materials and their interaction with light and other nanostructured materials. Here, we experimentally and numerically explore the optical response of individual nanostructures milled into an ENZ material. For the study, we employ 3D structured light beams, allowing us to fully control polarization dependent field enhancements enabled by a tailored illumination and a vanishing permittivity. Our studies provide insight between complex near fields and the ENZ regime while showcasing the polarization dependent controllability they feature. Such effects can form the basis for experimental realizations of extremely localized polarization controlled refractive index changes, which can ultimately enable ultrafast switching processes at the level of individual nanostructure

    Kinetics of the mechanically induced ibuprofen nicotinamide co crystal formation by in situ X ray diffraction

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    Mechanochemistry is drawing attention from the pharmaceutical industry given its potential for sustainable material synthesis and manufacture. Scaling mechanochemical processes to industrial level remains a challenge due to an incomplete understanding of their underlying mechanisms. We here show how time resolved in situ powder X ray diffraction data, coupled with analytical kinetic modelling, provides a powerful approach to gain mechanistic insight into mechanochemical reactions. By using the ibuprofen nicotinamide co crystal mechanosynthesis as a benchmark system, we investigate the behaviour of the solids involved and identify the factors that promote the reaction. As mechanochemical mechanisms become increasingly clear, it promises to become a breakthrough in the industrial preparation of advanced pharmaceutical

    Nitridated Nickel Mesh as Industrial Water and Alcohol Oxidation Catalyst Reconstruction and Iron Incorporation Matters

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    Nickel mesh NM is used in industrial alkaline water electrolyzers due to its cost effectiveness and conductivity. However, the decisive factors that advance the efficiency and sustainability of such electrodes are only partially understood. Herein, an efficient NM based electrocatalyst for the oxygen evolution reaction is developed via a single step nitridation route on a commercially used NM substrate and sheds light on the role of reconstruction and iron content to boost catalyst performance and durability. Remarkably, the activated Ni3N NM catalyst required an overpotential of 0.46 V to deliver 1 A cm amp; 8722;2 in ambient conditions 1 M KOH, 25 C . This overpotential decreases substantially to 0.28 V in industrially relevant conditions 6 M KOH, 85 C and is maintained for 235 h. Ni3N NM partially transformed into NiFe layered oxy hydroxide in both conditions, while the active structure s Fe content is reconstruction condition dependent temperature and KOH concentration . Electrodes reconstructed under industrially relevant conditions performed better than ambient reconstructed ones due to a more pronounced iron incorporation from KOH and the evolution of porous morphologies. In industrial environments, activated Ni3N NM excels in selectively converting benzyl alcohol to benzoic acid, achieving an impressive yield of 9

    Perturbative gadgets for gate based quantum computing Nonrecursive constructions without subspace restrictions

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    Perturbative gadgets are a tool to encode part of a Hamiltonian, usually the low energy subspace, into a different Hamiltonian with favorable properties, for instance, reduced locality. Many constructions of perturbative gadgets have been proposed over the years. Still, all of them are restricted in some ways Either they apply to some specific classes of Hamiltonians, they involve recursion to reduce locality, or they are limited to studying time evolution under the gadget Hamiltonian, e.g., in the context of adiabatic quantum computing, and thus involve subspace restrictions. In this work, we fill the gap by introducing a versatile universal, nonrecursive, nonadiabatic perturbative gadget construction without subspace restrictions, that encodes an arbitrary many body Hamiltonian into the low energy subspace of a three body Hamiltonian and is therefore applicable to gate based quantum computing. Our construction requires amp; 119903; amp; 8290; amp; 119896; additional qubits for a amp; 119896; body Hamiltonian comprising amp; 119903; terms. Besides a specific gadget construction, we also provide a recipe for constructing similar gadgets, which can be tailored to different properties, which we discus

    Parity violation in resonant inelastic soft x ray scattering at entangled core holes

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    Resonant inelastic x ray scattering RIXS is a major method for investigation of electronic structure and dynamics, with applications ranging from basic atomic physics to materials science. In RIXS applied to inversion symmetric systems, it has generally been accepted that strict parity selectivity applies in the sub kilo electron volt region. In contrast, we show that the parity selection rule is violated in the RIXS spectra of the free homonuclear diatomic O2 molecule. By analyzing the spectral dependence on scattering angle, we demonstrate that the violation is due to the phase difference in coherent scattering at the two atomic sites, in analogy with Young s double slit experiment. The result also implies that the interpretation of x ray absorption spectra for inversion symmetric molecules in this energy range must be revise

    Optimizing MoS2 Electrolyte Gated Transistors Stability, Performance, and Sensitivity Enhancements

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    Electrolyte gated field effect transistors EGFETs based on transition metal dichalcogenides TMDCs are promising for biosensing applications due to their high transconductance 1.98 mS and surface sensitivity enabling the detection of minute interfacial changes. However, their stability in aqueous poses significant challenges for long term reliability. This work presents a study to anhance both the stability and performance of TMDC based EGFETs. Initial devices showed promising performance but suffered significant instability during prolonged aqueos operation, limiting their biosensing applications. Postmortem analysis identified key areas for improvement leadinf to three major modifications 1 a double junction Ag AgCl electrode to prevent ion leakage, 2 a protective resist layer to shields the monolayer, and 3 precise etching to confine the semiconductor material, reducing parasitic currents. These optimizations imroved the devices transconductance and ensured stable operation over extended periods establishing TMDC based EGFETs as viable candidates for reliable biosensing in aqueous environment

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