Search Results - "Anker, Andy S."
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Extracting structural motifs from pair distribution function data of nanostructures using explainable machine learning
Published in npj computational materials (01-10-2022)“…Characterization of material structure with X-ray or neutron scattering using e.g. Pair Distribution Function (PDF) analysis most often rely on refining a…”
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Simple Setup Miniaturization with Multiple Benefits for Green Chemistry in Nanoparticle Synthesis
Published in ACS omega (08-02-2022)“…The development of nanomaterials often relies on wet-chemical synthesis performed in reflux setups using round-bottom flasks. Here, an alternative approach to…”
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Machine learning for analysis of experimental scattering and spectroscopy data in materials chemistry
Published in Chemical science (Cambridge) (13-12-2023)“…The rapid growth of materials chemistry data, driven by advancements in large-scale radiation facilities as well as laboratory instruments, has outpaced…”
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POMFinder : identifying polyoxometallate cluster structures from pair distribution function data using explainable machine learning
Published in Journal of applied crystallography (01-02-2024)“…Characterization of a material structure with pair distribution function (PDF) analysis typically involves refining a structure model against an experimental…”
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Monitoring the Structural Changes in Iridium Nanoparticles during Oxygen Evolution Electrocatalysis with Operando X‑ray Total Scattering
Published in Journal of the American Chemical Society (09-10-2024)“…Understanding the structure of nanoparticles under (electro)catalytic operating conditions is crucial for uncovering structure–property relationships. By…”
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Structural Changes during the Growth of Atomically Precise Metal Oxido Nanoclusters from Combined Pair Distribution Function and Small‐Angle X‐ray Scattering Analysis
Published in Angewandte Chemie International Edition (06-09-2021)“…The combination of in situ pair distribution function (PDF) analysis and small‐angle X‐ray scattering (SAXS) enables analysis of the formation mechanism of…”
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ClusterFinder: a fast tool to find cluster structures from pair distribution function data
Published in Acta crystallographica. Section A, Foundations and advances (01-03-2024)“…A novel automated high‐throughput screening approach, ClusterFinder, is reported for finding candidate structures for atomic pair distribution function (PDF)…”
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Atomic structural changes in the formation of transition metal tungstates: the role of polyoxometalate structures in material crystallization
Published in Chemical science (Cambridge) (10-05-2023)“…Material nucleation processes are poorly understood; nevertheless, an atomistic understanding of material formation would aid in the design of material…”
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Using generative adversarial networks to match experimental and simulated inelastic neutron scattering data
Published in Digital discovery (12-06-2023)“…Supervised machine learning (ML) models are frequently trained on large datasets of physics-based simulations with the aim of being applied to experimental…”
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Effect of solvothermal synthesis parameters on the crystallite size and atomic structure of cobalt iron oxide nanoparticles
Published in Nanoscale advances (16-09-2024)“…We here investigate how the synthesis method affects the crystallite size and atomic structure of cobalt iron oxide nanoparticles. By using a simple…”
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DeepStruc: towards structure solution from pair distribution function data using deep generative models
Published in Digital discovery (13-02-2023)“…Structure solution of nanostructured materials that have limited long-range order remains a bottleneck in materials development. We present a deep learning…”
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MLstructureMining: a machine learning tool for structure identification from X-ray pair distribution functions
Published in Digital discovery (15-05-2024)“…Synchrotron X-ray techniques are essential for studies of the intrinsic relationship between synthesis, structure, and properties of materials. Modern…”
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Breaking with the Principles of Coreduction to Form Stoichiometric Intermetallic PdCu Nanoparticles
Published in Small methods (01-06-2022)“…Intermetallic nanoparticles (NPs) have shown enhanced catalytic properties as compared to their disordered alloy counterparts. To advance their use in green…”
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Formation of intermetallic PdIn nanoparticles: influence of surfactants on nanoparticle atomic structure
Published in Nanoscale advances (05-12-2023)“…Bimetallic nanoparticles have been extensively studied as electrocatalysts due to their superior catalytic activity and selectivity compared to their…”
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Rücktitelbild: Structural Changes during the Growth of Atomically Precise Metal Oxido Nanoclusters from Combined Pair Distribution Function and Small‐Angle X‐ray Scattering Analysis (Angew. Chem. 37/2021)
Published in Angewandte Chemie (06-09-2021)“…Durch die Kombination von Röntgentotalstreuung und Röntgenkleinwinkelstreuung ist es möglich, einzigartige Einblicke in die Bildung von atomar präzisen…”
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Structural Changes during the Growth of Atomically Precise Metal Oxido Nanoclusters from Combined Pair Distribution Function and Small‐Angle X‐ray Scattering Analysis
Published in Angewandte Chemie (06-09-2021)“…The combination of in situ pair distribution function (PDF) analysis and small‐angle X‐ray scattering (SAXS) enables analysis of the formation mechanism of…”
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Exploring the Composition Space of High-Entropy Alloy Nanoparticles for the Electrocatalytic H 2 /CO Oxidation with Bayesian Optimization
Published in ACS catalysis (16-09-2022)Get full text
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Exploring the Composition Space of High-Entropy Alloy Nanoparticles for the Electrocatalytic H2/CO Oxidation with Bayesian Optimization
Published in ACS catalysis (16-09-2022)“…High-entropy alloy (HEA) electrocatalysts offer a vast composition space that awaits exploration to identify interesting materials for energy conversion…”
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Back Cover: Structural Changes during the Growth of Atomically Precise Metal Oxido Nanoclusters from Combined Pair Distribution Function and Small‐Angle X‐ray Scattering Analysis (Angew. Chem. Int. Ed. 37/2021)
Published in Angewandte Chemie International Edition (06-09-2021)“…By combining X‐ray total scattering and small‐angle X‐ray scattering, it is possible to obtain unique insight into the formation of atomically precise…”
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