Adsorbate-Dependent Electronic Structure Descriptors for Machine Learning-Driven Binding Energy Predictions in Diverse Single Atom Alloys: A Reductionist Approach-Reference-Cited by-同舟云学术

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Adsorbate-Dependent Electronic Structure Descriptors for Machine Learning-Driven Binding Energy Predictions in Diverse Single Atom Alloys: A Reductionist Approach

Published:2024-03-08 Issue:11 Volume:128 Page:4483-4496
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Shirani Javad¹^ORCID,Valdes Julio J.²^ORCID,Tchagang Alain B.²^ORCID,Bevan Kirk H.³^ORCID

Affiliation:

1. Division of Materials Engineering, Faculty of Engineering, McGill University, Montreal H3A 0C5, Quebec, Canada

2. Institute for Information Technology, National Research Council Canada, Ottawa K1A 0R6, ON, Canada

3. Canada & Centre for the Physics of Materials, Department of Physics, McGill University, Montreal H3A 2T8, Quebec, Canada

Funder

National Research Council Canada

Faculty of Engineering, McGill University

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c07398

Reference78 articles.

1. Single-Atom Alloys as a Reductionist Approach to the Rational Design of Heterogeneous Catalysts

2. Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations

3. Single-Atom Catalysts across the Periodic Table

4. Single-Atom Alloy Catalysis

5. Elucidating the Stability and Reactivity of Surface Intermediates on Single-Atom Alloy Catalysts

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1. Heteroatom Immobilization Engineering toward High-Performance Metal Anodes;ACS Nano;2024-09-11

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