Dilute alloys based on Au, Ag, or Cu for efficient catalysis: from synthesis to active sites

JD Lee, JB Miller, AV Shneidman, L Sun… - Chemical …, 2022 - ACS Publications
The development of new catalyst materials for energy-efficient chemical synthesis is critical
as over 80% of industrial processes rely on catalysts, with many of the most energy-intensive …

How machine learning can accelerate electrocatalysis discovery and optimization

SN Steinmann, Q Wang, ZW Seh - Materials Horizons, 2023 - pubs.rsc.org
Advances in machine learning (ML) provide the means to bypass bottlenecks in the
discovery of new electrocatalysts using traditional approaches. In this review, we highlight …

An Unlocked Two‐Dimensional Conductive Zn‐MOF on Polymeric Carbon Nitride for Photocatalytic H2O2 Production

Y Li, Y Guo, D Luan, X Gu… - Angewandte Chemie …, 2023 - Wiley Online Library
Develo** highly efficient catalytic sites for O2 reduction to H2O2, while ensuring the fast
injection of energetic electrons into these sites, is crucial for artificial H2O2 photosynthesis …

[HTML][HTML] Avoiding common errors in X-ray photoelectron spectroscopy data collection and analysis, and properly reporting instrument parameters

JW Pinder, GH Major, DR Baer, J Terry… - Applied Surface Science …, 2024 - Elsevier
Despite numerous tutorials and standards written to the technical community on X-ray
photoelectron spectroscopy (XPS), difficulties with data acquisition, analysis, and reporting …

[HTML][HTML] Machine learning on neutron and x-ray scattering and spectroscopies

Z Chen, N Andrejevic, NC Drucker, T Nguyen… - Chemical Physics …, 2021 - pubs.aip.org
Neutron and x-ray scattering represent two classes of state-of-the-art materials
characterization techniques that measure materials structural and dynamical properties with …

Why is EXAFS for complex concentrated alloys so hard? Challenges and opportunities for measuring ordering with X-ray absorption spectroscopy

H Joress, B Ravel, E Anber, J Hollenbach, D Sur… - Matter, 2023 - cell.com
Short-range order (SRO) is a critical driver of properties (eg, corrosion resistance and tensile
strength) in multicomponent alloys such as complex concentrated alloys (CCAs). Extended …

Bridging the gap between the X-ray absorption spectroscopy and the computational catalysis communities in heterogeneous catalysis: a perspective on the current …

R Rana, FD Vila, AR Kulkarni, SR Bare - ACS Catalysis, 2022 - ACS Publications
X-ray absorption spectroscopy (XAS)[extended X-ray absorption fine structure (EXAFS) and
X-ray absorption near-edge structure (XANES)] is a key technique within the heterogeneous …

Unsupervised machine learning for unbiased chemical classification in X-ray absorption spectroscopy and X-ray emission spectroscopy

S Tetef, N Govind, GT Seidler - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
We report a comprehensive computational study of unsupervised machine learning for
extraction of chemically relevant information in X-ray absorption near edge structure …

[HTML][HTML] Synchrotron radiation data-driven artificial intelligence approaches in materials discovery

Q Li, R **ng, L Li, H Yao, L Wu, L Zhao - Artificial Intelligence Chemistry, 2024 - Elsevier
Synchrotron radiation technology provides high-resolution and high-sensitivity information
for many fields such as material science, life science, and energy research. Synchrotron …

Strategy to probe the local atomic structure of luminescent rare earth complexes by X-ray absorption near-edge spectroscopy simulation using a machine learning …

LU Khan, ZU Khan, L Blois, L Tabassam… - Inorganic …, 2023 - ACS Publications
Rare earth (III) β-diketonates are highly remarkable luminophores in the visible spectral
region among the rare earth compounds, owing to the efficient contribution from the 4f–4f …