Hydrogen, Oxygen, and Lead Adsorbates on Al<sub>13</sub>Co<sub>4</sub>(100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data-Reference-Cited by-同舟云学术

Hydrogen, Oxygen, and Lead Adsorbates on Al₁₃Co₄(100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data

Published:2024-08-19 Issue: Volume: Page:
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Boulangeot Nathan¹²,Brix Florian¹³,Sur Frédéric²^ORCID,Gaudry Émilie¹^ORCID

Affiliation:

1. Univ. de Lorraine, CNRS UMR7198, Institut Jean Lamour, Campus Artem, 2 allée André Guinier, 54000 Nancy, France

2. Univ. de Lorraine, INRIA, CNRS UMR7503, Laboratoire Lorrain de Recherche en Informatique et Ses Applications, Campus Scientifique, 615 Rue du Jardin-Botanique, 54506 Vandœuvre-lès-Nancy, France

3. Center for Interstellar Catalysis, Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C, Denmark

Funder

Agence Nationale de la Recherche

Universit? de Lorraine

European Regional Development Fund

Grand ?quipement National De Calcul Intensif

CMAC

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00367

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4. Nucleation of Pb starfish clusters on the five-fold Al-Pd-Mn quasicrystal surface

5. Terrace-dependent nucleation of small Ag clusters on a five-fold icosahedral quasicrystal surface