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Laterally Resolved Free Energy Profiles and Vibrational Spectra of Chemisorbed H Atoms on Pt(111).
J Chem Theory Comput. 2024 Mar 12;20(5):2192-2201. doi: 10.1021/acs.jctc.3c00997. Epub 2024 Feb 7.
J Chem Theory Comput. 2024.
PMID: 38324701
Free PMC article.
Impact of Water Coadsorption on the Electrode Potential of H-Pt(1 1 1)-Liquid Water Interfaces.
Surendralal S, Todorova M, Neugebauer J.
Surendralal S, et al.
Phys Rev Lett. 2021 Apr 23;126(16):166802. doi: 10.1103/PhysRevLett.126.166802.
Phys Rev Lett. 2021.
PMID: 33961474
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First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion.
Surendralal S, Todorova M, Finnis MW, Neugebauer J.
Surendralal S, et al.
Phys Rev Lett. 2018 Jun 15;120(24):246801. doi: 10.1103/PhysRevLett.120.246801.
Phys Rev Lett. 2018.
PMID: 29957006
Free article.
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