bluuebunny/crossref_metadata_2025_split huggingface dataset:
Engineering Under‐Coordinated Active Sites with Tailored Chemical Microenvironments over Mosaic Bismuth Nanosheets for Selective CO2 Electroreduction to Formate
Authors: Sheng Youwei , Guo Yiyi , Yu Hongjie , Deng Kai , Wang Ziqiang , Li Xiaonian , Wang Hongjing , Wang Liang , Xu You 
Published: January 2023

AbstractSelective electrochemical reduction of CO2 into fuels or chemical feedstocks is a promising avenue to achieve carbon‐neutral goal, but its development is severely limited by the lack of highly efficient electrocatalysts. Herein, cation‐exchange strategy is combined with electrochemical self‐reconstruction strategy to successfully develop diethylenetriamine‐functionalized mosaic Bi nanosheets (mBi‐DETA NSs) for selective electrocatalytic CO2 reduction to formate, delivering a superior formate Faradaic efficiency of 96.87% at a low potential of −0.8 VRHE. Mosaic nanosheet morphology of Bi can sufficiently expose the under‐coordinated Bi active sites and promote the activation of CO2 molecules to form the OCHO−* intermediate. Moreover, in situ attenuated total reflectance infrared spectra further corroborate that surface chemical microenvironment modulation of mosaic Bi nanosheets via DETA functionalization can improve CO2 adsorption on the catalyst surface and stabilize the key intermediate (OCHO−*) due to the presence of amine groups, thus facilitate the CO2‐to‐HCOO− reaction kinetics and promote formate formation.
Sb‐Mediated Tuning of Growth‐ and Exciton Dynamics in Entirely Catalyst‐Free GaAsSb Nanowires
Authors: Jeong Hyowon W. , Ajay Akhil , Yu Haiting , Döblinger Markus , Mukhundhan Nitin , Finley Jonathan J. , Koblmüller Gregor 
Published: January 2023

AbstractVapor‐liquid‐solid (VLS) growth is the mainstream method in realizing advanced semiconductor nanowires (NWs), as widely applied to many III‐V compounds. It is exclusively explored also for antimony (Sb) compounds, such as the relevant GaAsSb‐based NW materials, although morphological inhomogeneities, phase segregation, and limitations in the supersaturation due to Sb strongly inhibit their growth dynamics. Fundamental advances are now reported here via entirely catalyst‐free GaAsSb NWs, where particularly the Sb‐mediated effects on the NW growth dynamics and physical properties are investigated in this novel growth regime. Remarkably, depending on GaAsSb composition and nature of the growth surface, both surfactant and anti‐surfactant action is found, as seen by transitions between growth acceleration and deceleration characteristics. For threshold Sb‐contents up to 3–4%, adatom diffusion lengths are increased ≈sevenfold compared to Sb‐free GaAs NWs, evidencing the significant surfactant effect. Furthermore, microstructural analysis reveals unique Sb‐mediated transitions in compositional structure, as well as substantial reduction in twin defect density, ≈tenfold over only small compositional range (1.5–6% Sb), exhibiting much larger dynamics as found in VLS‐type GaAsSb NWs. The effect of such extended twin‐free domains is corroborated by ≈threefold increases in exciton lifetime (≈4.5 ns) due to enlarged electron‐hole pair separation in these phase‐pure NWs.
Ultrathin Hollow Co/N/C Spheres from Hyper‐Crosslinked Polymers by a New Universal Strategy with Boosted ORR Efficiency
Authors: Zhan Zhen , Yu Junchen , Li Shuqing , Yi Xiaoxuan , Wang Jingyu , Wang Shaolei , Tan Bien 
Published: January 2023

AbstractPorous carbon materials with hollow structure, on account of the extraordinary morphology, reveal fascinating prospects in lithium‐ion batteries, electrocatalysis, etc. However, collapse in ultrathin carbon spheres due to insufficient rigidity in such thin materials obstructs further enhanced capability. Based on hyper‐crosslinked polymers (HCPs) with sufficient pore structure and rigid framework, a new bottom‐up strategy is proposed to construct SiO2@HCPs directly from aromatic monomers. Heteroatom and function groups can be facilely introduced to the skeleton. The thickness of HCPs’ wall can be tuned from 9 to 20 nm, which is much thinner than that of hollow sphere synthesized by the traditional method, and the sample with a thickness of 20 nm shows the highest surface area of 1633 m2 g−1. The oxygen reduction reaction is conducted and the CoNHCS electrocatalysts with an ultrathin thickness of 5 nm display higher half‐wave potential than those of bulk samples, even better than commercial Pt/C electrode. On account of the hollow structure, the relative current density loss of electrocatalysts is only 4.1% in comparison with 27.7% in Pt/C electrode during the 15 000 s test, indicating an obvious higher long‐term stability. The new strategy to construct hollow HCPs may shed light on efficient chemical catalysis, drug delivery, and electrocatalysis.
Self‐Terminating Surface Reconstruction Induced by High‐Index Facets of Delafossite for Accelerating Ammonia Oxidation Reaction Involving Lattice Oxygen
Authors: Zhang Shuo , Jiang Huimin , Yan Liting , Zhao Yanchao , Yang Lingzhi , Fu Qiuju , Li Dawei , Zhang Jun , Zhao Xuebo 
Published: January 2023

AbstractAmmonia (NH3) is a promising hydrogen (H2) carrier for future carbon‐free energy systems, due to its high hydrogen content and easiness to be liquefied. Inexpensive and efficient catalysts for ammonia electro‐oxidation reaction (AOR) are desired in whole ammonia‐based energy systems. In this work, ultrasmall delafossite (CuFeO2) polyhedrons with exposed high‐index facets are prepared by a one‐step NH3‐assisted hydrothermal method, serving as AOR pre‐catalysts. The high‐index CuFeO2 facet is revealed to facilitate surface reconstruction into active Cu‐doped FeOOH nanolayers during AOR processes in ammonia alkaline solutions, which is driven by the favorable Cu leaching and terminates as the 2p levels of internal lattice oxygen change. The reconstructed heterostructures of CuFeO2 and Cu‐doped FeOOH effectively activate the dehydrogenation steps of NH3 and exhibit a potential improvement of 260 mV for electrocatalytic AOR at 10 mA cm−2 compared to the pre‐restructured phase. Further, density functional theory (DFT) calculations confirm that a lower energy barrier of the rate‐determining step (*NH3 to *NH2) is presented on high‐index CuFeO2 facets covered with Cu‐doped FeOOH nanolayers. Innovatively, lattice oxygen atoms in Fe‐based oxides and oxyhydroxide are involved in the dehydrogenation steps of AOR as a proton acceptor, broadening the horizons for rational designs of AOR catalysts.
Entropy‐Driven Ultrafast Ion Conduction Via Confining Organic Plastic Crystals in Ordered Nanochannels of Covalent Organic Frameworks
Authors: Wang Jing , Liu Lili , Liu Yukun , Zhang Xian‐Ming , Li Juan 
Published: January 2023

AbstractLow conductivity over a wide temperature region due to ultra‐slow ion migration dynamics is a key issue in the field of solid‐state electrolytes (SSE), which needs to be solved and improved. Covalent organic frameworks (COFs), a rapidly growing class of porous crystalline materials, emerge as a new research hotspot in the field of SSEs. This is due to their homogeneously dispersed sites and well‐defined pathways for ion diffusion, demonstrating great advantages over conventional non‐porous solids. Herein, a composite solid electrolyte by confining organic ionic plastic crystal (OIPC) in the 1D ordered nanochannels of COFs as the host matrix for solid‐state lithium‐ion conduction, is reported. Due to the loss of coupling between PBu4+ cations and TFSI− anions, the cation–anion interaction is weakened; and thus, the lithium‐ion transportation is facilitated. As a result, the COF‐confining OIPC SSEs show ultra‐high lithium‐ion conductivity of 0.048 S cm−1 at 30 °C and 0.021 S cm−1 at the extremely low temperature of −30 °C. The dynamic origin of this fast ion conduction is characterized by differential scanning calorimetry (DSC), X‐ray photoelectron spectroscopy (XPS), and variable temperature solid‐state nuclear magnetic resonance (NMR) spectroscopy.
Boosting Chemoselective Hydrogenation of Nitroaromatic via Synergy of Hydrogen Spillover and Preferential Adsorption on Magnetically Recoverable Pt@Fe2O3
Authors: Yue Guichu , Yu Yu , Li Shuai , Li Huaike , Gao Songwei , Wang Yaqiong , Guo Wei , Wang Nü , Li Xiuling , Cui Zhimin , Cao Changyan , Jiang Lei , Zhao Yong 
Published: January 2023

AbstractIt is highly desired but challenging to design high performance catalyst for selective hydrogenation of nitro compounds into amino compounds. Herein, a boosting chemoselective hydrogenation strategy on Pt@Fe2O3is proposed with gradient oxygen vacancy by synergy of hydrogen spillover and preferential adsorption. Experimental and theoretical investigations reveal that the nitro is preferentially adsorbed onto oxygen vacancy of Pt@Fe2O3, meanwhile, the H2dissociated on Pt nanoparticles and then spillover to approach the nitro for selective hydrogenation (>99% conversion of 4‐nitrostyrene, > 99% selectivity of 4‐aminostyrene, TOF of 2351 h−1). Moreover, the iron oxide support endows the catalyst magnetic retrievability. This high activity, selectivity, and easy recovery strategy provide a promising avenue for selective hydrogenation catalysis of various nitroaromatic.
DevOps: Is there a gap between education and industry?
Authors: Sánchez‐Cifo Miguel Ángel , Bermejo Pablo , Navarro Elena 
Published: January 2023

AbstractDevOps has been identified by industry as one of the cornerstones of their development process. It is not just a set of tools but a set of principles and practices to build an efficient team improving the communication and collaboration. Its importance has greatly impacted even hiring processes being DevOps Engineer among the most recruited jobs according to LinkedIn. But it is not clear whether universities have noticed the magnitude this movement has attained in industry, despite the need of higher education and industry building up advances together. This led us to determine whether there is a gap between the training provided by higher education and the one expected from industry. For this aim, a questionnaire, defined after a careful review of the literature, has been run worldwide to answer the four research questions. The analysis arose several conclusions, such as higher prevalence of use than of training for most of the analyzed technological practices, except for those related to architecture, probably due to the migration cost these require. It was also found that the two practices with higher prevalence in industry, feedback and limit‐WIP, are scarcely trained in higher education. These conclusions provide interesting advice for future adaptations of computer science degrees.
The impacts of the COVID‐19 pandemic and the globalization on how automotive assessments will be performed in the future
Authors: Sameh Samer , Meza Selina , Ekert Damjan , Messnarz Richard 
Published: January 2023

AbstractUntil 2019 the VDA (German Automotive Association) did not accept online assessments. Then the pandemic of COVID‐19 led to a situation where for a certain time, travel and cooperation on site were not allowed any more. The VDA then allowed online assessments and hybrid assessments. Hybrid means that part of the assessment team is on place and part of the team is online connected. However, also full online assessments were allowed. In 2022, the impact of COVID‐19 decreased and still the online setup of assessments maintained. This paper will discuss this situation and outline a study from Valeo, which gives feedback about these online assessments and their effectiveness.
Uncertainty quantification for deep neural networks: An empirical comparison and usage guidelines
Authors: Weiss Michael , Tonella Paolo 
Published: January 2023

SummaryDeep neural networks (DNN) are increasingly used as components of larger software systems that need to process complex data, such as images, written texts, audio/video signals. DNN predictions cannot be assumed to be always correct for several reasons, amongst which the huge input space that is dealt with, the ambiguity of some inputs data, as well as the intrinsic properties of learning algorithms, which can provide only statistical warranties. Hence, developers have to cope with some residual error probability. An architectural pattern commonly adopted to manage failure prone components is thesupervisor, an additional component that can estimate the reliability of the predictions made by untrusted (e.g., DNN) components and can activate an automated healing procedure when these are likely to fail, ensuring that the deep learning‐based system (DLS) does not cause damages, despite its main functionality being suspended.In this paper, we consider DLS that implement a supervisor by means of uncertainty estimation. After overviewing the main approaches to uncertainty estimation and discussing their pros and cons, we motivate the need for a specific empirical assessment method that can deal with the experimental setting in which supervisors are used, where accuracy of the DNN matters only as long as the supervisor lets the DLS continue to operate. Then we present a large empirical study conducted to compare the alternative approaches to uncertainty estimation. We distilled a set of guidelines for developers that are useful to incorporate a supervisor based on uncertainty monitoring into a DLS.
Different proportions of dried Vernonia amygdalina leaves and wheat bran mixture supplementation on feed intake, digestibility and body weight change of Arsi–Bale sheep fed with natural pasture hay as basal diet
Authors: Adugna Wondimu , Ayele Shashie , Addis Mesganaw 
Published: January 2023

AbstractBackgroundAnimal feed shortage in quality and quantity, and escalating costs of agro‐industrial by‐products to supplement crop residues and natural pasture hay urged to look for alternative feed supplements. Vernonia amygdalina leaf is one of the potential feed resources to supplement poor quality feeds in ruminant feeding.ObjectivesThis experiment was designed to evaluate effects of supplementing dried V. amygdalina leaves (DVL) and wheat bran (WB) mixture on feed intake, digestibility, body weight change and economic feasibility of Arsi–Bale sheep fed with natural pasture hay as basal diet.MethodsTwenty intact yearling male sheep with an initial body weight (IBW) of 18.85 ± 0.95 kg (mean ± SD) were stratified into five blocks (four animals per block) based on their IBW and kept for 90 days of feeding and 10 days of digestibility trials. Four treatment diets comprised ad libitum hay (control, T1) and ad libitum hay plus daily supplementation of 300 g dry matter (DM) in a ratio of 2DVL:1WB (T2), 1DVL:1WB (T3) and 1DVL:2WB (T4), and the treatment feeds were randomly assigned to each animal within a block. Data were subjected to the analysis of variance using the GLM procedure of SAS (version 9.1).ResultsThe results showed that the crude protein contents of hay, DVL and WB were 9.4%, 21.5% and 15.5%, respectively. Supplementation improved (p < 0.0001) DM intake (DMI), apparent nutrient digestibility, average daily gain (ADG) and economic return. Sheep supplemented with two parts of DVL and one part of WB resulted significantly (p<0.0001) the highest DMI, DM and nutrient digestibility and a better feed conversion ratio. Consequently, they resulted highest ADG and net return.ConclusionsSheep fed with a basal diet of natural pasture hay supplemented with two parts of DVL and one part of WB is economical to improve body weight of Arsi–Bale sheep.
Information Flow Simulations in Multi-dimensional and Dynamic Systems
Authors: Righi Riccardo 
Published: January 2023

AbstractThe relevance of nodes with respect to the position they have in a network is often investigated with centrality measures. In particular, in cases where it is specifically meaningful to consider nodes’ ability to cumulate and convey information, like in economic systems, betweenness centrality is one of the most pertinent options because of its underlying concept. However, this statistic presents two limitations. First, as it relies on the computation of shortest paths, it is grounded on a binary topological evaluation: every time a node is not located in the shortest path between two other nodes, it gains no score at all in its centrality (even if it is located on a path just one step longer). Second, betweenness centrality does not allow the direct analysis of multi-dimensional and dynamic networks: it has to be computed one dimension and one instant at a time, and this causes problems of comparability in case of weighted connections. The scope and the originality of this work is to design a network model that makes it possible to solve these issues. The proposed Dynamic Multi-Layer Network (DMLN) allows the structural representation of the multi-dimensional and dynamic properties of nodes’ interactions. Then, this allows the computation of a metric that, based on Infomap random walks, assesses the level of information cumulated and conveyed by nodes in any moment and in any dimension of interaction. Importantly, this is performed without relying on a binary evaluation, and by jointly taking into account what occurred in all the dimensions and during the entire period, in which the system is observed. We present and discuss an implementation based on ICT worldwide trade of goods and services in the period 2004–2014.
Obstacles on the Pathway Towards Chemical Programmability Using Agglomerations of Droplets
Authors: Schneider Johannes Josef , Faggian Alessia , Matuttis Hans-Georg , Barrow David Anthony , Li Jin , Holler Silvia , Casiraghi Federica , Sanahuja Lorena Cebolla , Hanczyc Martin Michael , Eschle Patrik , Weyland Mathias Sebastian , Flumini Dandolo , Eggenberger Hotz Peter , Füchslin Rudolf Marcel 
Published: January 2023

AbstractWe aim at planning and creating specific agglomerations of droplets to study synergic communication using these as programmable units. In this paper, we give an overview of preliminary obstacles for the various research issues, namely of how to create droplets, how to set up droplet agglomerations using DNA technology, how to prepare them for confocal microscopy, how to make a computer see droplets on photos, how to analyze networks of droplets, how to perform simulations mimicking experiments, and how to plan specific agglomerations of droplets.
The Good, the Bad and the Ugly: Droplet Recognition by a “Shootout”-Heuristics
Authors: Matuttis Hans-Georg , Holler Silvia , Casiraghi Federica , Schneider Johannes Josef , Faggian Alessia , Füchslin Rudolf Marcel , Hanczyc Martin Michael 
Published: January 2023

AbstractWe explain how to optimize the image analysis of mixed clusters of red and green droplets in solvents with various degrees of sharpness, brightness, contrast and density. The circular Hough Transform is highly efficient for separated circles with reasonable background contrast, but not for large amounts of partially overlapping shapes, some of them blurred, as in the images of our dense droplet suspensions. We explain why standard approaches for image improvement fail and present a “shootout” approach, where already detected circles are masked, so that the removal of sharp outlines improves the relative optical quality of the remaining droplets. Nevertheless, for intrinsic reasons, there are limits to the accuracy of data which can be obtained on very dense clusters.
Geometric Restrictions to the Agglomeration of Spherical Particles
Authors: Schneider Johannes Josef , Barrow David Anthony , Li Jin , Weyland Mathias Sebastian , Flumini Dandolo , Eggenberger Hotz Peter , Füchslin Rudolf Marcel 
Published: January 2023

AbstractWithin the scope of the European Horizon 2020 project ACDC – Artificial Cells with Distributed Cores to Decipher Protein Function, we aim at the development of a chemical compiler governing the three-dimensional arrangement of droplets, which are filled with various chemicals. Neighboring droplets form bilayers containing pores through which chemicals can move from one droplet to its neighbors. When achieving a desired three-dimensional configuration of droplets, we can thus enable gradual biochemical reaction schemes for various purposes, e.g., for the production of some desired macromolecules for pharmaceutical purposes. In this paper, we focus on geometric restrictions to possible arrangements of droplets. We present analytic results for the buttercup problem and a heuristic optimization method for the kissing number problem, which we then apply to find (quasi) optimum values for a bidisperse kissing number problem, in which the center sphere exhibits a larger radius.
Investigating Lorentz Invariance Violation with the long baseline experiment P2O
Authors: Fiza Nishat , Chowdhury Nafis Rezwan Khan , Masud Mehedi 
Published: January 2023

Abstract
One of the basic propositions of quantum field theory is Lorentz invariance. The spontaneous breaking of Lorentz symmetry at a high energy scale can be studied at low energy extensions like the Standard model in a model-independent way through effective field theory (EFT). The present and future Long-baseline neutrino experiments can give a scope to observe such a Planck-suppressed physics of Lorentz invariance violation (LIV). A proposed long baseline experiment, Protvino to ORCA (dubbed “P2O”) with a baseline of 2595 km, is expected to provide good sensitivities to unresolved issues, especially neutrino mass ordering. P2O can offer good statistics even with a moderate beam power and runtime, owing to the very large (~ 6 Mt) detector volume at KM3NeT/ ORCA. Here we discuss in detail, how the individual LIV parameters affect neutrino oscillations at P2O and DUNE baselines at the level of probability and derive analytical expressions to understand interesting degeneracies and other features. We estimate ∆χ2 sensitivities to the LIV parameters, analyzing their correlations among each other, and also with the standard oscillation parameters. We calculate these results for P2O alone and also carry out a combined analysis of P2O with DUNE. We point out crucial features in the sensitivity contours and explain them qualitatively with the help of the relevant probability expressions derived here. Finally we estimate constraints on the individual LIV parameters at 95% confidence level (C.L.) intervals stemming from the combined analysis of P2O and DUNE datasets, and highlight the improvement over the existing constraints. We also find out that the additional degeneracy induced by the LIV parameter aee around −22 × 10−23 GeV is lifted by the combined analysis at 95% C.L.
Anapole moment of Majorana fermions and implications for direct detection of neutralino dark matter
Authors: Ibarra Alejandro , Reichard Merlin , Nagai Ryo 
Published: January 2023

Abstract
For Majorana fermions the anapole moment is the only allowed electromagnetic multipole moment. In this work we calculate the anapole moment induced at one-loop by the Yukawa and gauge interactions of a Majorana fermion, using the pinch technique to ensure the finiteness and gauge-invariance of the result. As archetypical example of a Majorana fermion, we calculate the anapole moment for the lightest neutralino in the Minimal Supersymmetric Standard Model, and specifically in the bino, wino and higgsino limits. Finally, we briefly discuss the implications of the anapole moment for the direct detection of dark matter in the form of Majorana fermions.