Crystallographic texture can be rapidly determined by electrochemical surface analytics

Speidel, Alistair; Su, Rong; Mitchell-Smith, Jonathon; Dryburgh, Paul; Bisterov, Ivan; Pieris, Don; Li, Wenqi; Patel, Rikesh; Clark, Matt; Clare, Adam T.

doi:10.1016/j.actamat.2018.07.059

Cited by 31 publications

(12 citation statements)

References 44 publications

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“…Some of these triangular pits are highlighted in blue color. From a structure and symmetry point of view, the triangular pits are indicative of a (111)-surface [44]. The formation of the nanoparticles and the triangular pits induced by cathodic corrosion is indeed the reason for an appreciable increase in the electrode surface area as supported by the electrochemical characterization.…”

Section: Cathodic Corrosion Processmentioning

confidence: 66%

An affordable option to Au single crystals through cathodic corrosion of a wire: Fabrication, electrochemical behavior, and applications in electrocatalysis and spectroscopy

Elnagar

Hermann

Jacob

et al. 2021

Electrochimica Acta

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Faceting and nanostructuring of polycrystalline gold electrodes by cathodic corrosion in concentrated potassium hydroxide electrolytes has been systematically studied at different electrode potentials. Current-potential curves for the restructured Au electrodes in 0.1 M H2SO4 show characteristic features of Au(111) facets in the double-layer and oxidation region.Thus, the modified Au electrodes adopt properties typically known for well-defined single crystal surfaces. Besides the preferential surface faceting, the electrochemically active surface area (EASA) is enhanced as a function of potential, concentration and time. Scanning electron micrographs show the formation of well-defined triangular pits and nanostructures with a specific orientation confirming the formation of (111)-facets. In this way, the behavior of single crystals is accompanied with the properties of nanoparticles which are of utmost interest in electrocatalysis and surface enhanced Raman spectroscopy (SERS). The electrocatalytic activity of the newly formed "Au(111)" surface from an Au wire has been tested towards the hydrogen evolution reaction (HER) and for the formic acid oxidation reaction (FAOR). The study of electrocatalytic reactions at these nanostructured electrodes allows to identify active centers, which are absent for extended single crystal surfaces.Adsorbed pyridine on the nanostructured Au electrodes directly shows SERS activity, while untreated polycrystalline Au is SERS-inactive. The use of cathodic corrosion of simple wires is a paradigm of SERS-applications in electrochemistry with clean Au electrodes that provide properties of Au(111) single crystals.

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Section: Cathodic Corrosion Processmentioning

confidence: 66%

An affordable option to Au single crystals through cathodic corrosion of a wire: Fabrication, electrochemical behavior, and applications in electrocatalysis and spectroscopy

Elnagar

Hermann

Jacob

et al. 2021

Electrochimica Acta

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“…Electrochemical jet processing (EJP) was undertaken using a 3-axis computer numerical control (CNC) apparatus. 30 A direct current power supply was used in a currentlimited configuration, with the electrode potential allowed to float dependent on the interelectrode gap (IEG) resistance. The electrolyte was recirculated during processing.…”

Section: Methodsmentioning

confidence: 99%

Thermal Activation of Electrochemical Seed Surfaces for Selective and Tunable Hydrophobic Patterning

Speidel

Murray

Bisterov

et al. 2020

ACS Appl. Mater. Interfaces

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Remarkable interfacial behaviors are observed in nature. Our efforts, directed toward replicating the structures, chemistries, and therefore functional properties of natural nonwetting surfaces, are competing with the result of billions of years of natural selection. The application of man-made surfaces is challenged by their poor longevity in aggressive environmental or applied service conditions. This study reports on a new approach for the creation of multiscale hierarchical surface patterns in metals, which exploits thermodynamic phenomena in advanced manufacturing processes. While hydrophobic coatings can be produced with relative ease by electrodeposition, these fractal-type structures tend to have poor structural integrity and hence are not durable. In this method, "seed surfaces" are directly written onto substrates by selective electrodeposition, after which they are irradiated by a large-area, pulsed electron beam to invoke a beading phenomenon, which is studied here. The length scale of these beads is shown to depend upon the melt time of the liquid metal. The created surfaces are shown to yield high water contact angles (145°) without subsequent chemical modification, and high adhesion properties reminiscent of the "rose petal" hydrophobic effect. The size and morphology and hence the hydrophobic effect of the surface beads generated are correlated with the thickness of the electrodeposited coating and hence the melt lifetime upon electron irradiation. This new rapid approach for tunable hydrophobic surface creation has applications for developing precision hydrophobic patterns and is insensitive to surface complexity.

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“…However, the mentioned studies generally only consider a binary classification of GBs or variation of a few DOFs which represents a small "slice" of the full grain boundary character (GBC) space. Recent advances in high-throughput simulation [26,[29][30][31][32][33][34][35], experimental characterization [26,34,[36][37][38], and availability of rich GB datasets [33,35,[39][40][41][42][43][44][45][46][47] warrant highfidelity structure-property models capable of handling large amounts of input data to aid in the aforementioned applications.…”

Section: Motivationmentioning

confidence: 99%

Five Degree-of-Freedom Property Interpolation of Arbitrary Grain Boundaries via Voronoi Fundamental Zone Octonion Framework

Baird,

Homer,

Fullwood

et al. 2021

Preprint

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In this work we introduce the Voronoi fundamental zone octonion (VFZO) interpolation framework for grain boundary (GB) structure-property models and surrogates. The VFZO framework offers an advantage over other five degree-of-freedom (5DOF) based property interpolation methods because it is constructed as a point set in a manifold. This means that directly computed Euclidean distances approximate the original octonion distance with significantly reduced computation runtime (∼7 CPU minutes vs. 153 CPU days for a 50 000 × 50 000 pairwise-distance matrix). This increased efficiency facilitates lower interpolation error through the use of significantly more input data. We demonstrate grain boundary energy (GBE) interpolation results for a non-smooth validation function and simulated bi-crystal datasets for Fe and Ni using four interpolation methods: barycentric interpolation, Gaussian process regression (GPR) or Kriging, inverse-distance weighting (IDW), and nearest neighbor (NN) interpolation. These are evaluated for 50 000 random input GBs and 10 000 random prediction GBs. The best performance was achieved with GPR, which resulted in a reduction of the root mean square error (RMSE) by 83.0% relative to RMSE of a constant, average model. Likewise, interpolation on a large, noisy, molecular statics (MS) Fe simulation dataset improves performance by 34.4 % compared to 21.2 % in prior work. Interpolation on a small, low-noise MS Ni simulation dataset is similar to interpolation results for the original octonion metric (57.6 % vs. 56.4 %). A vectorized, parallelized, MATLAB interpolation function (interp5DOF.m) and related routines are available in our VFZO repository (gi thub.com/sgbaird-5dof/interp) which can be applied to other crystallographic point groups. The VFZO framework offers advantages for computing distances between GBs, estimating property values for arbitrary GBs, and modeling surrogates of computationally expensive 5DOF functions and simulations.

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Crystallographic texture can be rapidly determined by electrochemical surface analytics

Cited by 31 publications

References 44 publications

An affordable option to Au single crystals through cathodic corrosion of a wire: Fabrication, electrochemical behavior, and applications in electrocatalysis and spectroscopy

An affordable option to Au single crystals through cathodic corrosion of a wire: Fabrication, electrochemical behavior, and applications in electrocatalysis and spectroscopy

Thermal Activation of Electrochemical Seed Surfaces for Selective and Tunable Hydrophobic Patterning

Five Degree-of-Freedom Property Interpolation of Arbitrary Grain Boundaries via Voronoi Fundamental Zone Octonion Framework

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