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DFT data for „Video-STM studies of adsorbate dynamics on metal electrodes covered by an anisotropic adlayer of coadsorbed anions“

The archive contains density functional theory (DFT) data for the publication „Chaolong Yang, Falk Wendorff, Sönke Buttenschön, Eckhard Pehlke, and Olaf M. Magnussen, Video-STM studies of adsorbate dynamics on metal electrodes covered by an anisotropic adlayer of coadsorbed anions“ (DOI: https://doi.org/10.1016/j.electacta.2026.149585).

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Datenstruktur

README file and compressed tar-archive containing DFT data for publication [1] . Data have been created using programs from the software package ”Quantum ESPRESSO“ [2,3]. Pseudopotentials from the GBRV library [4] have been used. Please cite the relevant publications when using the data.

[1] C.Yang et al., original publication, Electrochim. Acta (2026) https://doi.org/10.1016/j.electacta.2026.149585.
[2] P. Giannozzi et al., J. Phys. Condens. Matter 21 395502 (2009).
[3] P. Giannozzi et al., J. Phys. Condens. Matter 29 465901 (2017).

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Einordnung

Datum der Veröffentlichung:
27.07.2026
DOI:
10.57892/100-364
Project ID:
Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 504552981
Sprache:
Englisch
Ressourcentyp:
Gemischt
DDC-Sachgruppe der DNB:
530 Physik
Einrichtung:
Fakultäten, Mathematisch-Naturwissenschaftliche Fakultät
Externer Verweis
Affiliated journal article: Video-STM studies of adsorbate dynamics on metal electrodes covered by an anisotropic adlayer of coadsorbed anions

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ODC-By 1.0 - Attribution License