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The engineering of the surface morphology and the structure of the thin film is one of the essential technological assets for regulating the physical properties and functionalities of thin film-based devices. This study presents an easy and handy approach to tailor the surface structure of epitaxial thin films utilizing low-energy ion beam. Here, we investigate the evolution of the surface structure and magnetic anisotropy (MA) in epitaxial Fe/MgO (001) model systems subjected to multiple cycles of ion beam erosion (IBE) after thin film growth. The growth of Fe film occurs in the form of three–dimensional islands and exhibits intrinsic biaxial MA. Following a few cycles of IBE, an induced uniaxial magnetic anisotropy leads to a split in the hysteresis loop, and the film displays almost uniaxial magnetic switching behavior. More distinctly, we present a clear and conclusive evidence of (2 × 2) reconstruction of the Fe surface due to the atomic rearrangement by IBE. Furthermore, 57Fe isotope sensitive nuclear resonance scattering measurement provides insight into the depth-resolved magnetic information due to the modified surface topography. We also demonstrate that thermal annealing can reversibly tune the surface reconstruction and induced UMA. The feasibility of the IBE technique by adequately selecting IBE parameters for surface structure modification has been highlighted apart from conventional tailoring of the morphology for the tuning of UMA and introduces a new dimension to our understanding of self-assembled surface morphology evolution by IBE. [ABSTRACT FROM AUTHOR]

The stability of a mixture of two different surface reconstructions is investigated focusing on GaN(0001) surface mixed with Ga a d (2 × 2) and 3Ga-H(2 × 2) domains using the density functional theory calculations. Since the number of candidate structures is enormous, the structures sampled by Bayesian optimization are analyzed. As a result, the local electron counting (EC) rule alone was found to be insufficient to explain such stability. Then, augmenting the EC rule, a data-driven Ising model is proposed. The model allows the evaluation of the whole enormous number of candidate structures. The approach is expected to be useful for theoretical studies of such mixtures on various semiconductor surfaces. [ABSTRACT FROM AUTHOR]

Density functional theory was employed to examine the adsorption and thermal evolution of nitrogen species on diamond(111) impacted by microwave N2 plasma. On bare domains of diamond, as represented by the models of C(111)-2 × 1 and graphite-like C(111), N2(ad) is identified as the major surface species; the desorption of N2(ad) proceeds on both models via a concerted process of breaking two C–N bonds. By contrast, there is evidence of the formation of (NH)2(ad) via the insertion reaction of microwave N2 plasma on hydrogenated domains of diamond, as represented by the models of C(111)-2 × 1-H and C(111)-1 × 1-H. Interestingly, contrasting dynamics of desorption of (NH)2(ad) are presented on these two models, that is, via sequential breaking of two C–N bonds on C(111)-2 × 1-H and via concerted breaking of both C–N bonds on C(111)-1 × 1-H. Our results demonstrate that the observed diversity of surface nitrogen species in composition, bonding, vibration, and desorption in prior experiments is linked to domains of a variety of surface terminations and reconstructions on diamond(111). [ABSTRACT FROM AUTHOR]

This paper reports the changes in morphology and topographic roughness on the surface of a pristine TlGaS e 2 layered crystal caused by an external electric field applied perpendicular to the layer plane at room temperature. These electric-field-induced surface reconstructions and modifications in the TlGaS e 2 sample were monitored through x-ray reflectivity, x-ray diffraction, and atomic force microscopy techniques. Two distinct electric-field-induced surface responses have been observed: the shifting of the XRD peaks to the higher Bragg angles and the variations in the XRR curves depending on the strength and polarity of the applied external electric fields. AFM results show that the applied electric field leads to a reproducible transformation of the surface roughness of the TlGaS e 2 single crystal from smooth to disheveled, with well-defined depth protrusions. The relaxation time of these surface topological configurations induced under an applied dc electric field was found to be much longer than a few days. The electrostatic capacitive behavior of this two-dimensional semiconducting material is believed to be caused by lattice distortions and the formation of inner stresses (strains) during electric field poling, as well as a drop in the unit-cell characteristics of TlGaSe2. The current–voltage (I–V) measurements show a pronounced nonlinear relationship for a previously poled sample. This nonlinearity is attributed to the field-effect-induced capacitance in TlGaS e 2. Electromigration of intrinsic defects such as Se-anion vacancies, which are already present in the crystal lattice structure of virgin TlGaS e 2 , may diffuse into the sample surface from a bulk (or vice versa) during electric field applications. Finally, employing DFT simulations, we present that the Se-anion vacancy model may be beneficial because changes in the charge state of metal ions positioned around selenium vacancies could be expected. The slightly asymmetric capacitance with respect to the polarity of the bias potential applied to the top surface of TlGaS e 2 is justified by our theoretical calculations. [ABSTRACT FROM AUTHOR]

The design of heterogeneous catalysts generally involves optimizing the reactivity descriptor of adsorption energy, which is inevitably governed by the structure of surface-active sites. A prerequisite for understanding the structure–properties relationship is the precise identification of real surface-active site structures, rather than relying on conceived structures derived from bulk alloy properties. However, it remains a formidable challenge due to the dynamic nature of nanoalloys during catalytic reactions and the lack of accurate and efficient interatomic potentials for simulations. Herein, a generalizable deep-learning potential for the Ag–Pd–F system is developed based on a dataset encompassing the bulk, surface, nanocluster, amorphous, and point defected configurations with diverse compositions to achieve a comprehensive description of interatomic interactions, facilitating precise prediction of adsorption energy, surface energy, formation energy, and diffusion energy barrier and is utilized to investigate the structural evolutions of AgPd nanoalloys during fluorination. The structural evolutions involve the inward diffusion of F, the outward diffusion of Ag in Ag@Pd nanoalloys, the formation of surface AgFx species in mixed and Janus AgPd nanoalloys, and the shape deformation from cuboctahedron to sphere in Ag and Pd@Ag nanoalloys. Moreover, the effects of atomic diffusion and dislocation formation and migration on the reconstructing pathway of nanoalloys are highlighted. It is demonstrated that the stress relaxation upon F adsorption serves as the intrinsic driving factor governing the surface reconstruction of AgPd nanoalloys. [ABSTRACT FROM AUTHOR]

In this work, we investigate how exploiting symmetry when creating and modifying structural models may speed up global atomistic structure optimization. We propose a search strategy in which models start from high symmetry configurations and then gradually evolve into lower symmetry models. The algorithm is named cascading symmetry search and is shown to be highly efficient for a number of known surface reconstructions. We use our method for the sulfur-induced Cu (111) ( 43 × 43 ) surface reconstruction for which we identify a new highly stable structure that conforms with the experimental evidence. [ABSTRACT FROM AUTHOR]

This study explores the growth and structural characteristics of N d 2 O 3 layers on virtual germanium-rich SiGe substrates on Si(111). We focus on the emergence of the hexagonal phase depending on the stoichiometry of the virtual substrate. X-ray diffraction measurements reveal a hexagonal phase when N d 2 O 3 is grown directly on Si(111), while growth on Ge leads to a cubic oxide structure. On SiGe layers, the growth of the oxide results in a mixed phase containing hexagonal and cubic regions, regardless of the Ge content. The cubic structure grown on virtual Ge substrates exhibits strong tensile strain, while layers grown on SiGe layers show no strain. In situ growth control via electron diffraction shows a dependence of the oxide structure of the surface reconstruction of the virtual substrate. Growth on a 7 × 7 reconstruction leads to hexagonal parts on Si-based substrates, while growth on c (2 × 8) results in cubic oxide growth on Ge. Furthermore, oxide layers grown on virtual SiGe substrates form an interfacial silicate layer. The thickness of the interfacial layer is influenced by the Si content and the structure of the oxide layer enabling oxygen diffusion pathways. [ABSTRACT FROM AUTHOR]

[Display omitted] • Cr dopant promotes the in situ reconstruction of Ni 3 N during HER and OER. • Cr-doping enhances OH– adsorption and boosts the formation of NiOOH. • Cr dopant facilitates the H 2 O activation and the generation of Ni 3 N/Ni(OH) 2. • Cr-Ni 3 N/NF displays high OER and HER activities along with good stability. • It gives a small voltage of 1.72 V at 100 mA cm−2 in overall water splitting. Understanding and utilizing the dynamic changes of electrocatalysts under working conditions are important for advancing the sustainable hydrogen production. Here, we for the first time report that Cr-doping can promote the in situ reconstruction of a self-supported Ni 3 N electrocatalyst (Cr-Ni 3 N/NF) during oxygen and hydrogen evolution reactions (OER and HER), and therefore improve the electrocatalytic water splitting performance. As identified by in situ measurements and theoretical calculations, Cr-doping enhances OH– adsorption during OER at anode and thereby boosts the transformation of Ni 3 N pre-catalysts to defect-rich nickel oxyhydroxide (NiOOH) active species. Meanwhile, it facilitates the generation of Ni 3 N/Ni(OH) 2 at cathodes due to effective H 2 O activation, leading to the fast HER kinetics on the Ni 3 N/Ni(OH) 2 interfaces. Notably, the optimal Cr-Ni 3 N/NF displays good OER and HER performance in 1.0 M KOH electrolytes, with low overpotentials of 316 and 188 mV to achieve the current density of ± 100 mA cm−2, respectively. Benefiting from its bi-functionality and self-supporting property, an alkaline electrolyzer equipped with Cr-Ni 3 N/NF as both anode and cathode affords a small voltage of 1.72 V at 100 mA cm−2, along with 100 h operation stability. Elucidating that Cr-doping can boost in situ reconfiguration and consequently the electrocatalytic activity, this work would shed new light on the rational design and synthesis of electrocatalysts via directional reconstructions. [ABSTRACT FROM AUTHOR]

A carefully designed C and S co doped Co 2 VO 4 /CoP heterojunction strategy was constructed using a synergistic approach of hydrothermal and vapor deposition. This strategy requires the synergistic improvement of thermodynamic performance by adjusting electronic structure and nanoscale kinetic improvements, resulting in efficient dual functionality for seawater decomposition. [Display omitted] The endeavor to architect bifunctional electrocatalysts that exhibit both exceptional activity and durability heralds an era of boundless potential for the comprehensive electrolysis of seawater, an aspiration that, nevertheless, poses a substantial challenge. Within this work, we describe the precise engineering of a three-dimensional interconnected nanoparticle system named S C doped Co 2 VO 4 /CoP (S C Co 2 VO 4), achieved through a meticulously arranged hydrothermal treatment sequence followed by gas-phase carbonization and phosphorization. The resulting S C Co 2 VO 4 electrode exhibits outstanding bifunctional electrocatalytic stability, attributed to the strategic anionic doping and abundant heterogeneous interfaces. Doping not only adjusts the electronic structure, enhancing electron transfer efficiency but also optimizes the surface-active sites. This electrode prodigiously necessitated an extraordinarily minimal overpotential of merely 92 and 350 mV to attain current densities of 10 and 50 mA cm−2 for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), respectively, in 1 M KOH solution. Noteworthily, when integrated into an electrolyzer for the exhaustive splitting of seawater, the S C P-Co 2 VO 4 manifested an exceptionally low cell voltage of 2.08 V@50 mA cm−2 and showcased a durability that eclipses that of most hitherto documented nickel-based bifunctional materials. Further elucidation through Density Functional Theory (DFT) analyses underscored that anion doping and the inherent heterostructure adeptly optimize the Gibbs free energy of intermediates comprising hydrogen, chlorine, and oxygen (manifested as OH, O, OOH) within the HER and OER paradigms, thus propelling the electrochemical kinetics of seawater splitting to unprecedented velocities. These revelations unfurl a pioneering design philosophy for the creation of cost-effective yet superior catalysts aimed at the holistic division of water molecules, charting a course towards the realization of efficient and sustainable hydrogen production methodologies. [ABSTRACT FROM AUTHOR]

Ni‐based bimetallic catalysts (NiM) show promise to replace expensive Pt‐based catalysts for hydrogen oxidation reaction (HOR). However, the effect of dopant and reaction conditions on the adsorbate‐driven surface reconstruction of NiM nanoparticles remains largely unexplored. Here, we use a multiscale modeling approach – integrating density functional theory, kubic harmonics interpolation, and microkinetic modeling – to investigate the interplay between dopant, reaction conditions, facet, adsorbate type, adsorbate coverage, in situ surface structure, and performance for NiM nanoparticles during HOR. Clear periodic trends appear in dopant effects on key adsorption energies, with dopants showing 7‐fold greater effects when located in the surface as compared to subsurface. Multi‐faceted nanoparticle models showed a non‐uniform correlation between O* coverage and surface reconstruction. HOR performance was facet‐dependent, with the highest performance occurring at reactive fronts formed between regions of high O* and OH* coverage. The nanoparticle averaged performance showed promotional effects for nearly all dopants compared to pure Ni, with the best‐performing dopants located preferentially in the surface layer (e. g. Au, Pd, Ag). Taken together, this work emphasizes the importance of understanding the interplay between reaction conditions, surface reconstruction, and HOR performance for NiM nanoparticles, enabling researchers to both predict and control the working nanoscale catalyst structure. [ABSTRACT FROM AUTHOR]

In this work, self‐derivation and surface reconstruction strategies are innovatively introduced into the synthetic route of the metal complex‐derived catalysts. The in situ grown nanorod arrays of Ni‐based complex are prepared by a simple self‐derivation and rapid ligand chelation reaction. Furthermore, highly active heterogeneous electrocatalysts are developed by mild‐temperature calcination. Attributed to the maintained morphology and highly dispersed Ni/Ni(OH)2 heterojunction active sites, the as‐prepared electrode exhibits superior hydrogen evolution activity (38.4 mV–10 mA cm−2). In particular, the dynamic reconstruction during oxygen evolution through in situ Fourier transform infrared and in situ Raman spectroscopies are observed. The reconstructed Ni(OH)2/NiOOH by activation gives the electrode higher oxygen evolution performance (369 mV–200 mA cm−2). Further density functional theory mechanism studies disclose that Ni/Ni(OH)2 contributes to the adsorption of H* in hydrogen evolution and the activated Ni(OH)2/NiOOH optimizes the formation of intermediates in oxygen evolution. [ABSTRACT FROM AUTHOR]

The rational manipulation of the surface reconstruction of catalysts is a key factor in achieving highly efficient water oxidation, but it is a challenge due to the complex reaction conditions. Herein, we introduce a novel in situ reconstruction strategy under a gradient magnetic field to form highly catalytically active species on the surface of ferromagnetic/paramagnetic CoFe2O4@CoBDC core–shell structure for electrochemical oxygen evolution reaction (OER). We demonstrate that the Kelvin force from the cores' local gradient magnetic field modulates the shells' surface reconstruction, leading to a higher proportion of Co2+ as active sites. These Co sites with optimized electronic configuration exhibit more favorable adsorption energy for oxygen‐containing intermediates and lower the activation energy of the overall catalytic reaction. As a result, a significant enhancement in OER performance is achieved with a large current density increment about 128 % at 1.63 V and an overpotential reduction by 28 mV at 10 mA cm−2 after reconstruction. Interestingly, after removing the external magnetic field, the activity could persist for over 100 h. This work showcases the directional surface reconstruction of catalysts under a gradient magnetic field for enhanced water oxidation. [ABSTRACT FROM AUTHOR]

Interface engineering is an efficient strategy to create high‐performance electrocatalysts for water splitting. In the present work, CeO2@CoSe2 nanoneedle on carbon cloth (CeO2@CoSe2/CC) demonstrates high efficiency for oxygen evolution reaction (OER) and water splitting. CeO2 with abundant O vacancies facilitates the adsorption of OH− and boosts the reconstruction of CoSe2 into CoOOH at lower potentials. The in situ generated active CeO2@CoOOH heterointerface upshifts the d‐band center of Co site, thereby decreasing the free energy of rate‐determining step (RDS) (*O to *OOH) during the OER process. It delivers a low OER overpotential of 245 mV at 10 mA cm−2. CeO2@CoSe2/CC is also found to be active for hydrogen evolution reaction (HER, 138 mV overpotential at 10 mA cm−2), profiting from CeO2‐facilitated *H2O dissociation and *H adsorption on CoSe2. The overall water splitting is achieved over the CeO2@CoSe2/CC bifunctional electrode with a low electrolysis voltage of 1.54 V at 10 mA cm−2. This work offers valuable insights into CeO2‐assisted surface reconstruction as well as provides water electrolysis catalysts through interface engineering. [ABSTRACT FROM AUTHOR]

The oxide surface structure plays a vital role in controlling and utilizing the emergent phenomena occurring at the interface of nanoarchitecture. A complete understanding of ternary oxide surfaces remains challenging due to complex surface reconstructions in various chemical and physical environments. Here a thermodynamic framework is developed to treat the stability of ternary oxide surfaces with finite temperature and chemical environments. Strontium titanate, as a representative ternary oxide, is used to establish the complete energy landscape of SrTiO3 (001) surface. The complete mapping yields a comprehensive understanding of various stable SrTiO3 surfaces with finite temperature and chemical potential or vapor pressure of the constituents, i.e., Sr (or Ti) metal and oxygen. This treatment also reveals a stable surface unknown yet with SrTi2O3 stoichiometry, which unveils the missing link between numerous previous experimental observations and the current understanding of SrTiO3 surface. Interestingly, the new surface shows an anisotropic surface‐localized metallic state originating from the characteristic surface structure. The findings would provide a viable way to understand ternary oxide surfaces and further utilize SrTiO3 surfaces for oxide nanoarchitectures. [ABSTRACT FROM AUTHOR]

Efficiently reconstructing complex and intricate surfaces at scale remains a significant challenge in 3D surface reconstruction. Recently, implicit neural representations have become a popular topic in 3D surface reconstruction. However, how to handle loop closure and bundle adjustment is a tricky problem for neural methods, because they learn the neural parameters globally. We present an algorithm that leverages the concept of surfels and expands relevant definitions to address such challenges. By integrating neural descriptors with surfels and framing surfel association as a deformation graph optimization problem, our method is able to effectively perform loop closure detection and loop correction in challenging scenarios. Furthermore, the surfel-level representation simplifies the complexity of 3D neural reconstruction. Meanwhile, the binding of neural descriptors to corresponding surfels produces a dense volumetric signed distance function (SDF), enabling the mesh reconstruction. Our approach demonstrates a significant improvement in reconstruction accuracy, reducing the average error by 16.9% compared to previous methods, while also generating modeling files that are up to 90% smaller than those produced by traditional methods. [ABSTRACT FROM AUTHOR]

The rigid matching of two geometric clouds is vital in the computer vision and its intelligent applications, such as computational geometry, robotics, shape modelling, surface reconstruction and mapping, and many other fields. The variants of the iterative closest point algorithm were employed as the most noticeable matching algorithm. In traditional ICP algorithms applications for symmetrical geometry matching, the initial uncertainty and the multiple local minima of the distance function adversely affect the alignment process, which leads to weak performance, such as incorrect correspondence, narrow convergence region, and instability. In this study, the novel algorithm fused the ICP algorithm, particle filter and K-means clustering to correctly estimate the transformation ICP parameters. Further guide to initial values of parameters and their covariance obtained by k-means clustering. Then, a particle filter was implemented to estimate accurate values and perform global optimization. In the introduced PF-ICP algorithm, the alignment parameters: rotation angles, scale factor, and translation, were defined as particles elements optimized using a sequential importance resampling (SIR) particle filter. The proposed algorithm was implemented on a medical robot FPGA board and applied to "three symmetrical models" and "noisy and poor datasets." The calculated variances and estimated parameters were compared with four modified ICP methods. The results show a significantly increasing accuracy and convergence region with an acceptable speed for the practical conditions. [ABSTRACT FROM AUTHOR]

Wetting and drying cycles (WDCs) have a significant impact on the shear behavior of discontinuities with different joint wall materials (DDJMs). This influence is crucial for the reasonable evaluation of the long-term stability of soft and hard interbedded rock slopes under water level fluctuations. As the surface topographies of natural discontinuities collected from the field vary, conducting comparative experiments on natural discontinuity specimens with identical surface topographies is challenging. To solve this problem, a 3D surface topography reconstruction technique was employed to obtain DDJM specimens with three types of surface topographies collected from a typical sliding-prone stratum in the Three Gorges Reservoir area, China. A series of experiments, including computed tomography scanning, 3D laser scanning, and direct shear tests, were conducted to investigate the influence of WDCs on the micro- and macroproperties of joint walls, surface topographies, and shear behavior of DDJMs. The experimental results showed that repeated WDC treatments caused the degradation of the microstructures and macroscopic physical properties of the studied joint walls, and the more severely weakened joint wall played a predominant role in reducing the shear strength of DDJMs. The influence of WDCs on the surface topographies of DDJMs was negligible in this study; changes in the shear behavior of DDJMs were closely associated with the weakening of joint walls induced by WDCs; and the impact degree of joint wall weakening on the deterioration of the shear behavior of DDJMs was interactively influenced by and positively correlated with both the joint roughness coefficient and normal stress. These results will contribute to a better understanding of the evolution of the stability of soft and hard interbedded rock slopes induced by water level fluctuations in the Three Gorges Reservoir area and other reservoir regions. [ABSTRACT FROM AUTHOR]

In this work, we propose an efficient smoothed particle hydrodynamics (SPH) method for simulating laser powder bed fusion (LPBF). The multi-physics process of LPBF, including the heat transfer and phase change with complex boundaries, is accurately resolved by a novel heat source model and a modified continuous surface force based on a corrected surface delta function. Moreover, we also develop an efficient tensile instability control algorithm for preventing the pressure oscillations. The present method is implemented in a GPU-accelerated framework, and its performance is well demonstrated by simulating the LPBF processes with both single-layer and multi-layer powder beds (with the help of surface reconstruction). The numerical results are compared well with the experimental ones which clearly verify the ability of the present method in capturing the complex physical phenomenon of LPBF. [ABSTRACT FROM AUTHOR]

Obstructed atomic insulator is recently proposed as an unconventional material, in which electric charge centers localized at sites away from the atoms. A half-filling surface state would emerge at specific interfaces cutting through these charge centers and avoid intersecting any atoms. In this article, we utilized photoemission spectroscopy and density functional theory calculations to study one of the obstructed atomic insulator candidates, NiP2. A floating surface state with large effective mass that is close to the Fermi level and isolated from all bulk states is resolved on the (100) cleavage plane, implying better catalytic activity in this plane than the previously studied surfaces. Density functional theory calculation results elucidate that this floating surface state is originated from the obstructed Wannier charge centers, albeit underwent surface reconstruction. Our findings not only shed lights on the study of obstructed atomic insulators, but also provide possible route for development of new catalysts. [ABSTRACT FROM AUTHOR]

The surface reconstruction of electrochemically activated catalysts is an effective way to improve performance. However, there is currently a dearth of study on the surface reconstruction of silicide catalysts for hydrogen evolution reactions (HER). Here, a new HER electrocatalyst, LaRuSi3, is synthesized and electrochemically triggered it to produce Ru clusters on its surface. Experimental data and theoretical simulations reveal that Ru clusters optimize the charge distribution of LaRuSi3, which promotes the adsorption of water by Ru sites and improves the adsorption of hydrogen by Si sites. The conductivity and electrochemical active sites of the catalysts are also enhanced. The catalyst has an overpotential of 45 mV to attain a current density of 10 mA cm−2 in alkaline media, which exceeds the majority of other Ru‐based compounds. This work contributes to the exploration of more efficient novel silicides HER electrocatalysts and broadens the application of surface reconstruction techniques. [ABSTRACT FROM AUTHOR]

Alloy catalyst is considered to be an important strategy to solve the shuttle effect and sluggish kinetics of lithium‐sulfur batteries (LSBs). However, the effect of the electronic structure of the alloy catalyst on the sulfur conversion process has not been effectively analyzed. In this paper, based on alloying strategy, the electronic structure of such a FeCoNi catalyst is regulated and optimized, and the sulfur adsorption configuration and catalytic conversion process are defined. The in situ Raman spectroscopy and the density functional theory (DFT) are employed to deeply understand the catalytic mechanism of such a sulfur conversion. A cell with FeCoNi modified separator delivers an ultra‐low capacity attenuation of 0.056% per cycle over 1000 cycles at 3 C. The outstanding anti‐self‐discharge performance of 8.1% over 7 days is also achieved. Furthermore, the obtained cell with a high sulfur loading of 9.7 mg cm−2 and lean electrolyte of 5.6 µL mgs−1 exhibits 81% capacity retention after 100 cycles, providing a research prospect for the practical application of lithium‐sulfur batteries. [ABSTRACT FROM AUTHOR]

The development of a simple and large-scale strategy for enhancing the intrinsic activity and reaction kinetics of nano-electrocatalyst for water splitting is crucial but challenging. Herein, a Ru-doped CoO x /CeO 2 heterojunction catalyst with nanosheet arrays grown on an iron foam (named R-Ru@CoO x /CeO 2 /IF) was synthesized via fast solution combustion and low-temperature reduction processes. Low Ru doping (3.56 wt%) creates the lattice strain on the catalyst and modified the electronic structure, which is essential for optimizing the adsorption of reaction intermediates. Furthermore, benefiting from the desired nanosheet array framework, heterojunction structure, and abundant oxygen vacancies, the self-supporting electrode possesses sufficient active sites and fast mass/charge transport kinetics for promoting hydrogen and oxygen evolution reactions (HER and OER, respectively). Consequently, the R-Ru@CoO x /CeO 2 /IF exhibits ultralow overpotentials of 44 and 212 mV at 10 mA cm−2 for the HER and OER, respectively, in an alkaline solution; it also exhibits excellent stability with an overall activity superior to those of most reported oxide catalysts. Particularly, the assembled R-Ru@CoO x /CeO 2 /IF || R-Ru@CoO x /CeO 2 /IF symmetric electrolyzer only requires 1.44 and 1.61 V to reach 10 and 100 mA cm−2, respectively, and the decline in its activity is satisfactory after 100 h of durability testing at 1000 mA cm−2. The proposed simple and large-scale strategy has potential in the development of low noble-metal doped electrocatalysts for producing high-density and green hydrogen. [Display omitted] • A low Ru doped CoO x /CeO 2 nanosheet array electrode was prepared. • Rapid solution combustion induces Ru doping into lattice of Co 3 O 4. • Ru dopants synergy with heterointerfaces to optimize the electronic structure and adsorption of reaction intermediates. • Surface reconstruction from oxide to oxyhydroxide was revealed. • R-Ru@Co/Ce/IF showed high-efficient HER, OER, and overall water splitting properties. [ABSTRACT FROM AUTHOR]

The crystal structure of a novel MAX phase is determined using X-ray powder diffraction, spherical aberration corrected transmission electron microscopy, and first-principles calculations. In the new V–Sn–C system, the R 3 ‾ m space group aligns more closely with the experimental data than the P 6 3 /mmc space group. The lattice parameters of the new trigonal V 2 SnC phase are a = 0.291 nm and c = 2.08 nm. Moreover, the surface of the new phase has a tin-doped carbide face-centered cubic (FCC) structure reconstruction layer. First-principles calculations indicate that the new trigonal V 2 SnC phase is metastable compared with the hexagonal V 2 SnC phase. However, the thermal stability of the metastable trigonal V 2 SnC in air is significantly enhanced owing to the presence of the reconstruction layer. [ABSTRACT FROM AUTHOR]

The current limitations in utilizing metal-organic frameworks for (photo)electrochemical applications stem from their diminished electrochemical stability. In our study, we illustrate a method to bolster the activity and stability of (photo)electrocatalytically active metal-organic frameworks through ligand engineering. We synthesize four distinct mixed-ligand versions of zeolitic imidazolate framework-67, and conduct a comprehensive investigation into the structural evolution and self-reconstruction during electrocatalytic oxygen evolution reactions. In contrast to the conventional single-ligand ZIF, where the framework undergoes a complete transformation into CoOOH via a stepwise oxidation, the ligand-engineered zeolitic imidazolate frameworks manage to preserve the fundamental framework structure by in-situ forming a protective cobalt (oxy)hydroxide layer on the surface. This surface reconstruction facilitates both conductivity and catalytic activity by one order of magnitude and considerably enhances the (photo)electrochemical stability. This work highlights the vital role of ligand engineering for designing advanced and stable metal-organic frameworks for photo- and electrocatalysis. The application of metal-organic frameworks in (photo)electrocatalysis is constrained by their structural stability. Here, the authors report mixed-ligand zeolitic imidazolate frameworks that can in-situ form a protective (oxy)hydroxide layer through surface reconstruction, enhancing both catalytic activity and stability during (photo)electrocatalytic oxygen evolution reactions. [ABSTRACT FROM AUTHOR]

Silicon surface alloys and silicide nanolayers are highly important as contact materials in integrated circuit devices. Here we demonstrate that the submonolayer Si/Ag(001) surface reconstruction, reported to exhibit interesting topological properties, comprises a quasi-one-dimensional Si-Ag surface alloy based on chains of planar double-pentagon Si moieties. This geometry is determined using a combination of density functional theory calculations, scanning tunnelling microscopy, and grazing incidence x-ray diffraction simulations, and yields an electronic structure in excellent agreement with photoemission measurements. This work provides further evidence of pentagonal geometries in 2D materials and heterostructures and elucidates the importance of surface alloying in stabilizing their formation. Using DFT simulations and STM measurements, the Si/Ag(001) surface reconstruction is revealed to be a Si-Ag surface alloy. Its atomic structure is composed of quasi-1D double-pentagon chains of silicon, electronically isolated by surface Ag atoms. [ABSTRACT FROM AUTHOR]

Electrolyte plays crucial roles in electrochemical CO2 reduction reaction (e‐CO2RR), yet how it affects the e‐CO2RR performance still being unclarified. In this work, it is reported that Sn‐Zn hybrid oxide enables excellent CO2‐to‐HCOO− conversion in KHCO3 with a HCOO− Faraday efficiency ≈89%, a yield rate ≈0.58 mmol cm−2 h−1 and a stability up to ≈60 h at −0.93 V, which are higher than those in NaHCO3 and K2SO4. Systematical characterizations unveil that the surface reconstruction on Sn‐Zn greatly depends on the electrolyte using: the Sn‐SnO2/ZnO, the ZnO encapsulated Sn‐SnO2/ZnO and the Sn‐SnO2/Zn‐ZnO are reconstructed on the surface by KHCO3, NaHCO3 and K2SO4, respectively. The improved CO2‐to‐HCOO− performance in KHCO3 is highly attributed to the reconstructed Sn‐SnO2/ZnO, which can enhance the charge transportation, promote the CO2 adsorption and optimize the adsorption configuration, accumulate the protons by enhancing water adsorption/cleavage and limit the hydrogen evolution. The findings may provide insightful understanding on the relationship between electrolyte and surface reconstruction in e‐CO2RR and guide the design of novel electrocatalyst for effective CO2 reduction. [ABSTRACT FROM AUTHOR]

Electrocatalysts for the oxygen evolution process must be both active and stable in order to make hydrogen from water using renewable power. Nitrogen‐doped carbon layer coated cobalt manganate particles were synthesized on carbon cloth using calcination method. The catalysts exhibited small particle sizes and graphitized carbon layer that covered the cobalt manganate, facilitating electron flow. Moreover, the nitrogen‐doped carbon layer enhanced the oxygen evolution reaction (OER) rate by reducing the potential required for surface reconstruction and optimizing electron distribution on the cobalt manganate surface. This electrocatalyst demonstrated a current density of 100 mA/cm2 at 1.56 V vs. RHE. Thus, this electrocatalyst shows promise as a novel OER catalyst for water oxidation in acidic aqueous solutions. [ABSTRACT FROM AUTHOR]

The combined CoF2/MXene system was effective in the facile cobalt active species formation induced by surface reconstruction and charge redistribution to promote oxygen evolution reaction. [ABSTRACT FROM AUTHOR]

Reconstructing geometric shapes from sparse multiview has always been a challenging task. With the development of neural implicit surfaces, geometry‐based volume rendering surface reconstruction methods have been proven to be able to reconstruct high‐quality surfaces. However, existing geometry‐based reconstruction methods completely associate volume density with signed distance function or unsigned distance function, resulting in the same volume density peak that can only be reconstructed near the object surface. When there are transparent surfaces in the scene, existing methods prioritize the reconstruction of opaque surfaces, neglecting the reconstruction of transparent surfaces, which is disadvantageous when reconstructing real scenes. To solve this problem, we introduce local probability standard variance, which calculates volume density together with signed distance function. In this way, it can reconstruct the volume density that matches the transparency characteristics of the object surface. The method can reconstruct the surface of transparent objects, and experiments on two transparent surface datasets show that the method performs better. [ABSTRACT FROM AUTHOR]

Understanding the origin of surface reconstruction is crucial for developing highly efficient lattice oxygen oxidation mechanism (LOM) based spinel oxides. Traditionally, the reconstruction has been achieved through electrochemical procedures, such as cyclic voltammetry (CV), linear sweep voltammetry (LSV). In this work, we found that the surface reconstruction in LOM‐based CoFe0.25Al1.75O4 catalyst was an irreversible oxygen redox chemical reaction. And a lower oxygen vacancy formation energy (EO‐V) could benefit the combination of the activated lattice oxygen atoms with adsorbed water molecular. Motivated by this finding, a strategy of phase boundary construction from Co tetrahedral to octahedral was employed to decrease EO‐V in CoFe0.25Al1.75O4. The results showed that as the Co octahedral occupancy ratio rose to 64 %, a 3.5 nm‐thick reconstructed layer formed on the catalyst surface with a 158 mV decrease in overpotential. Further experiments indicated that the coexistence of tetrahedral‐octahedral (O−T) phase would result in lattice mismatch, promoting non‐bonding oxygen states and lowering EO‐V. Then more active lattice oxygen combined with H2O molecules to generate hydroxide ions (OH−), followed by soluble cation leaching, which enhanced the reconstruction process. This work provided new insights into the relationship between the intrinsic structure of pre‐catalysts and surface reconstruction in LOM‐based spinel electrocatalysts. [ABSTRACT FROM AUTHOR]

[Display omitted] The cathodes of solid oxide fuel cells (SOFCs) often suffer from detrimental cation segregations and associated impurities poisoning, leading to insufficient electroactivity and poor stability. Here we developed a medium-entropy double perovskite GdBa(Co 1.2 Mn 0.2 Fe 0.2 Ni 0.2 Cu 0.2)O 5-δ (ME-GBCO) for promising SOFC cathode. The increased configuration entropy can effectively tailor the surface composition with in situ formed active BaCoO 3-δ (BCO) species, rather than inert and deleterious BaO x segregation on parent GdBaCo 2 O 5-δ (GBCO) surface. Accordingly, the layered ME-GBCO cathode with beneficial surface reconstruction exhibited not only high oxygen reduction activity but excellent durability against CO 2 impurity, enabling it a very attractive cathode for intermediate temperature SOFCs (IT-SOFCs). Our study provides a new idea for development of efficient and durable cathodes via configurational entropy induced rational surface reconstruction. [ABSTRACT FROM AUTHOR]

[Display omitted] • A novel core–shell Co 2 (PS 3)@Co 2 P is designed as a pre-catalyst. • The Co 2 (PS 3)@Co 2 P catalyst with fast surface reconstruction. • The PO 4 3−, SO 3 2− and SO 4 2−-decorated CoOOH as a true catalyst. • The oxyanions can enhance the activity and stability in seawater. • The oxyanions can optimize the intermediates' chemisorption. The design of pre-catalysts and the rational manipulation of corresponding electrochemical reconstruction are vitally important to construct the highly durable and active catalysts for seawater oxidation, but rather challenging. Herein, a novel core–shell catalyst of Co 2 (PS 3)@Co 2 P (labeled as CoPS) by epitaxial growth of amorphous cobalt phosphide (Co 2 P) on crystalline cobalt phosphorous trichalcogenide (Co 2 (PS 3)) is firstly designed as a pre-catalyst for alkaline seawater oxidation. Various characterization techniques are employed to demonstrate that the unique amorphous-crystalline nanowire structure (CoPS) achieves the rapid surface reconstruction into active CoOOH and diversiform oxyanions species (labeled as CoPS-R). Theoretical simulations uncover that the in situ derived oxyanions (PO 4 2−, SO 3 2− and SO 4 2−) on the surface of CoOOH can tune the electron distribution of Co site, thereby optimizing the chemisorption of oxygen evolution reaction (OER) intermediates on CoOOH and reducing the energy barrier of determining step. Consequently, in an alkaline natural seawater solution, the reconstructed CoPS-R catalyst exhibits small overpotentials of 357 and 402 mV for OER at 200 and 500 mA cm−2, respectively, together with an impressive durability over 500 h at a large current density of 500 mA cm−2 benefiting from the strong repulsive effect of the derived PO 4 2−, SO 3 2− and SO 4 2− oxyanions. This work offers a new insight for comprehending the relationship of structure-composition-activity and develops a new approach toward the construction of efficient and robust OER catalysts for seawater electrolysis. [ABSTRACT FROM AUTHOR]

[Display omitted] The sluggish kinetics and inferior stability of oxygen electrocatalyst in rechargeable zinc air battery (ZAB) hamper its industrialization. In this work, we activate cobalt telluride (CoTe) by introduction of metallic cobalt (Co) to modulate the work function to facilitate the electron transfer from Co to CoTe during oxygen catalysis; additionally, the three-dimensional porous carbon nanosheets (3DPC) are invited to reduce the resistance towards electrolyte/oxygen diffusion. Thereby, Co-CoTe@3DPC only demands 280 mV overpotential to reach 10 mA cm−2 under alkaline oxygen evolution reaction (OER) condition, relatively lower than commercial iridium oxides (IrO 2); besides, the operando electrochemical impedance spectroscopy (EIS) indicates a better resistance towards surface reconstruction than Co@3DPC leading to a superior stability. A Pt-like oxygen reduction reaction (ORR) performance, half-wave potential associated with kinetic current density, is achieved for Co-CoTe@3DPC. A maximum power density of 203 mW cm−2 is achieved and sustains for 800 h. Furthermore, the all-solid-state ZAB offers 97 mW cm−2. Theoretical calculation suggests that the incorporation of metallic Co to CoTe maintains the superb ORR activity and promotes the OER catalysis. [ABSTRACT FROM AUTHOR]

The most environmentally friendly method for producing hydrogen is through the electrolysis of water, reliable and effective catalysts play a crucial role in enhancing hydrogen production efficiency. In this paper, Fe–NiC 2 O 4 /NF in block form was prepared by hydrothermal method on nickel foam (NF) for electrolysis of water under alkaline conditions. The surface reconstruction of the Fe–NiC 2 O 4 /NF was further investigated via XRD, FTIR, and XPS during the oxygen evolution reaction (OER). The catalytic activity of Fe–Ni(OH) 2 /NiOOH formed after reconstruction was considerably enhanced in comparison to the original catalyst. The overpotentials for hydrogen evolution reaction (HER) at 10 mA cm−2 and OER at 100 mA cm−2 were 126 mV and 260 mV, respectively. Meanwhile, applying it in a two-electrode, total hydrolysis device only requires 1.53 V at 10 mA cm−2. This investigation introduces a novel method for surface reconstruction of electrocatalysts to facilitate electrolytic water reaction. [ABSTRACT FROM AUTHOR]

BiVO4 has been widely concerned due to its great potential in photoelectrochemical (PEC) water splitting. However, low carrier mobilities and high recombination efficiency of photogenerated carriers impede its photocatalytic performance. Herein, an in situ PEC cyclic‐voltammetry‐induced surface reconstruction of BiVO4 photoanodes (BVO pristine) is developed with significantly enhanced efficiency for solar water splitting. A series of in situ characterizations (including in situ X‐ray diffraction, in situ Raman), together with electrochemical tests and density‐functional theory calculations, reveal that during the photoelectrical activation process, the BVO pristine surfaces undergo a crystal plane reconstruction with greatly increased {040} crystal face to promote the separation of photogenerated carriers. In addition, abundant vanadium vacancies and oxygen vacancies are also introduced into the BiVO4 surface during the crystal face reconstruction process with more favorable surface water adsorption and increased injection efficiency of photogenerated carriers. Therefore, the charge‐transfer resistance (Rct) between BVO pristine and electrolyte under AM 1.5G illumination substantially reduced from the original 15 200 to 2820 Ω after the activation. Moreover, the photocurrent density of activated BVO pristines increases more than 12 times, relative to the original BiVO4. In this work, a new horizon for in situ photoelectric activation of semiconductor photoelectrodes with significantly enhanced PEC water splitting is provided. [ABSTRACT FROM AUTHOR]

The excavation tunnel model is an important reference for mine equipment control and tunnel deformation monitoring. Currently, tunnel models are mainly created manually, and point cloud reconstruction algorithms are difficult to directly apply to tunnel point clouds. To address these issues, this paper proposes a point cloud-based excavation tunnel modeling method. First, preprocessing algorithms such as point cloud coordinate transformation, tunnel point cloud extraction, and tunnel point cloud completion are used to filter out equipment point clouds inside the tunnel and repair occluded holes. Then, the tunnel centerline is extracted, and consistency optimization is performed on the point cloud normal vectors. Finally, a tunnel model is established based on the Poisson modeling algorithm, enabling high-precision tunnel modeling. The proposed algorithm's accuracy and effectiveness are demonstrated through experiments on four different coal mine tunnels. [ABSTRACT FROM AUTHOR]

The commercialization of water‐splitting technology strongly relies on the stable and high‐performance electrocatalyst for hydrogen and oxygen evolution reactions (HER‐OER). In this work, the nickel dopants in IrRu alloyed electrocatalyst for acidic water splitting activity are investigated. The incorporation of nickel dopants induces more oxygen atoms coordinating with Ir/Ru facilitating the formation of *OOH species via nucleophilic attack by H2O. Additionally, a fast surface reconstruction is achieved due to the electrochemical dissolution of Ni dopants; as a result, more oxygen species are incorporated, evidenced by in situ Raman spectroscopy and electrochemical impedance spectroscopy. Therefore, the mass activity for Ni@IrRu is enhanced by threefold than commercial IrO2 in acidic OER catalysis. Moreover, the nickel dopants balance the hydrogen binding strength; as a result, only 609 mV overpotential is demanded to reach 1 A cm−2 in acidic HER catalysis. The polymer electrolyte membrane water electrolyzer (PEMWE) test indicates only 1.87 V is required to attain 2 A cm−2, 160 mV lower than Pt/C‐IrO2 revealing its potential application in PEMWE. [ABSTRACT FROM AUTHOR]

An atomic‐scale understanding of how electrocatalyst surfaces reconstruct and transform during electrocatalytic reactions is essential for optimizing their activity and longevity. This is particularly important for the oxygen evolution reaction (OER), where dynamic and substantial structural and compositional changes occur during the reaction. Herein, a multimodal method is developed by combining X‐ray fine structure absorption and photoemission spectroscopy, transmission electron microscopy, and atom probe tomography with electrochemical measurements to interrogate the temporal evolution of oxidation states, atom coordination, structure, and composition on Co2MnO4 and CoMn2O4 cubic spinel nanoparticle surfaces upon OER cycling in alkaline media. Co2MnO4 is activated at the onset of OER due to the formation of ≈2 nm Co‐Mn oxyhydroxides with an optimal Co/Mn ratio of ≈3. As OER proceeds, Mn dissolution and redeposition occur for the CoMn oxyhydroxides, extending the OER stability of Co2MnO4. Such dynamic dissolution and redeposition are also observed for CoMn2O4, leading to the formation of less OER‐active Mn‐rich oxides on the nanoparticle surfaces. This study provides mechanistic insights into how dynamic surface reconstruction and transformation affect the activity and stability of mixed CoMn cubic spinels toward OER. [ABSTRACT FROM AUTHOR]

We study the transport properties of underdoped trilayer cuprate HgBa2Ca2Cu3O8+δ with doping level p = 0.10–0.12 in magnetic field up to 88 T. We report for the first time in a cuprate superconductor a dramatic change of the quantum oscillation spectrum versus temperature, which is accompanied by a sign change of the Hall effect below T ≈10 K. Based on numerical simulations, we infer a Fermi surface reconstruction in the inner plane from an antiferromagnetic state (hole pockets) to a biaxial charge density wave state (electron pockets). We show that both orders compete and share the same hotspots of the Fermi surface, and we discuss our result in the context of spin-fermion models. [ABSTRACT FROM AUTHOR]

In reconstructive surgery following partial mandibulectomy, the biomechanical integrity of the fibula free flap applied to the remaining mandibular region directly influences the prognosis of the surgery. The purpose of this study is to evaluate the biomechanical integrity of two fixation materials [titanium (Ti) and hydroxyapatite/poly-L-lactide (HA-PLLA)]. In this study, we simulated the mechanical properties of miniplate and screw fixations in two different systems by finite element analysis. A three-dimensional mandibular model was constructed and a fibula free flap and reconstruction surface were designed. The anterior and posterior end of the free flap was positioned with two miniplates and two additional miniplates were applied to the angled area of the fibula. The masticatory loading was applied considering seven principal muscles. The peak von Mises stress (PVMS) distribution, size of fixation deformation, principal stresses on bones, and gap opening size were measured to evaluate the material properties of the fixation. In the evaluation of properties, superior results were observed with both fixation methods immediately after surgery. However, after the formation of callus between bone segments at 2 months, the performance of Ti fixation decreased over time and the differences between the two fixations became minimal by 6 months after surgery. The result of the study implies the positive clinical potential of the HA-PLLA fixation system applied in fibula free flap reconstruction. [ABSTRACT FROM AUTHOR]

Surface reconstruction has always been a pain point in the study of short-chain perfluoroalkyl acrylate polymers, and how to maintain the balance between environmental protection and good performance is the key issue. We exploited the high efficiency and selectivity of the reaction between the isophorone di-isocyanate group and the hydroxyl group, and the rigid cyclohexane structure contained in their molecule to efficiently prepare a series of novel fluoro acrylate monomers (IFAM) containing rigid cyclohexane as mesogenic core and their homopolymers (PIFAM) with different lengths of short-chain perfluoroalkyl side chains. Their structures, liquid crystal behavior, thermal properties, surface chemical compositions, surface morphologies, and hydrophobicity were characterized and comparatively studied by FTIR, NMR, XRD, POM, DSC, TGA, XPS, AFM, and static/dynamic contact angle tester and dodecafluoroheptyl methacrylate (DFMA) and its homopolymer as a contrast. The results demonstrated that both the synthesized monomers and homopolymers possessed the expected chemical structures with thermotropic liquid crystalline behavior. Furthermore, the thermal stability and hydrophobicity of the polymers increased with the extension of the fluorocarbon chain length. The incorporation of the mesocrystalline motif and appropriate length of fluoroalkyl tails in the PIFAM polymers would enhance hydrophobic stability, as it promoted the crystallinity of the side chains and limited the structural rearrangement of the fluorocarbon chains. This study offers a straightforward method for synthesizing fluoro acrylate polymers with stable surface properties, highlighting their potential application in hydrophobic coatings. [ABSTRACT FROM AUTHOR]

Laser point clouds are commonly affected by Gaussian and Laplace noise, resulting in decreased accuracy in subsequent surface reconstruction and visualization processes. However, existing point cloud denoising algorithms often overlook the local consistency and density of the point cloud normal vector. A feature map learning algorithm which integrates point normal constraints, Dirichlet energy, and coupled orthogonality bias terms is proposed. Specifically, the Dirichlet energy is employed to penalize the difference between neighboring normal vectors and combined with a coupled orthogonality bias term to enhance the orthogonality between the normal vectors and the subsurface, thereby enhancing the accuracy and robustness of the learned denoising of the feature maps. Additionally, to mitigate the effect of mixing noise, a point cloud density function is introduced to rapidly capture local feature correlations. In experimental findings on the anchor public dataset, the proposed method reduces the average mean square error (MSE) by 0.005 and 0.054 compared to the MRPCA and NLD algorithms, respectively. Moreover, it improves the average signal-to-noise ratio (SNR) by 0.13 DB and 2.14 DB compared to MRPCA and AWLOP, respectively. The proposed algorithm enhances computational efficiency by 27% compared to the RSLDM method. It not only removes mixed noise but also preserves the local geometric features of the point cloud, further improving computational efficiency. [ABSTRACT FROM AUTHOR]

Surface reconstruction from scattered point clouds is the process of generating surfaces from unstructured data configurations retrieved using an acquisition device such as a laser scanner. Smooth surfaces are possible with the use of spline representations, an established mathematical tool in computer-aided design and related application areas. One key step in the surface reconstruction process is the parameterization of the points, that is, the construction of a proper mapping of the 3D point cloud to a planar domain that preserves surface boundary and interior points. Despite achieving a remarkable progress, existing heuristics for generating a suitable parameterization face challenges related to the accuracy, the robustness with respect to noise, and the computational efficiency of the results. In this work, we propose a boundary-informed dynamic graph convolutional network (BIDGCN) characterized by a novel boundary-informed input layer, with special focus on applications related to adaptive spline approximation of scattered data. The newly introduced layer propagates given boundary information to the interior of the point cloud, in order to let the input data be suitably processed by successive graph convolutional network layers. We apply our BIDGCN model to the problem of parameterizing three-dimensional unstructured data sets over a planar domain. A selection of numerical examples shows the effectiveness of the proposed approach for adaptive spline fitting with (truncated) hierarchical B-spline constructions. In our experiments, improved accuracy is obtained, e.g., from 60% up to 80% for noisy data, while speedups ranging from 4 up to 180 times are observed with respect to classical algorithms. Moreover, our method automatically predicts the local neighborhood graph, leading to much more robust results without the need for delicate free parameter selection. [ABSTRACT FROM AUTHOR]

The crystalline dependent discharge process shows strong structure-reforming ability on surface and promotes the formation of vacancies and thus reducing the adsorption energy of intermediate. [Display omitted] Alkaline water electrolysis is apreferred technology for large-scale green hydrogen production. For most active transition metal-based catalysts during anodic oxygen evolution reaction (OER), the atomic structure of the anodic catalysts' surface often undergoes reconstruction to optimize the reaction path and enhance their catalytic activity. The design and maintenance of highly active sites during this reconstruction process remain critical and challenging for most OER catalysts. In this study, we explored the effects of crystal structures in pre-catalysts on surface reconstruction at low applied potential. Through experimental observation and theoretical calculation, we found out that catalysts with specific crystal structures exhibit superior surface remodeling ability, which enables them to better adapt to the conditions of the oxygen evolution reaction and achieve efficient catalysis. The discharge process enables the formation of abundant phosphorus vacancies on the surface, which in turn affects the efficiency of the entire oxygen evolution reaction. The optimized crystal structure of the catalyst results in an increase as high as 58.5 mA/cm2 for Ni 5 P 4 , which is twice as high as that observed for Ni 2 P. These results provide essential theoretical foundations and technical guidance for designing more efficient catalysts for oxygen evolution reactions. [ABSTRACT FROM AUTHOR]

Brain reconstruction, specially of the cerebral cortex, is a challenging task and even more so when it comes to highly gyrified brained animals. Here, we present Stitcher, a novel tool capable of generating such surfaces utilizing MRI data and manual segmentation. Stitcher makes a triangulation between consecutive brain slice segmentations by recursively adding edges that minimize the total length and simultaneously avoid self-intersection. We applied this new method to build the cortical surfaces of two dolphins: Guiana dolphin (Sotalia guianensis), Franciscana dolphin (Pontoporia blainvillei); and one pinniped: Steller sea lion (Eumetopias jubatus). Specifically in the case of P. blainvillei, two reconstructions at two different resolutions were made. Additionally, we also performed reconstructions for sub and non-cortical structures of Guiana dolphin. All our cortical mesh results show remarkable resemblance with the real anatomy of the brains, except P. blainvillei with low-resolution data. Sub and non-cortical meshes were also properly reconstructed and the spatial positioning of structures was preserved with respect to S. guianensis cerebral cortex. In a comparative perspective between methods, Stitcher presents compatible results for volumetric measurements when contrasted with other anatomical standard tools. In this way, Stitcher seems to be a viable pipeline for new neuroanatomical analysis, enhancing visualization and descriptions of non-primates species, and broadening the scope of compared neuroanatomy. [ABSTRACT FROM AUTHOR]